Mon 24 Dec 01:13:35 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 1vp4-1.8-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/1vp4-1.8-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/1vp4-1.8-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp4-1.8-parrot-mrncs Accepted label: fp=FP Accepted label: sigfp=SIGFP Accepted label: phibest=hltofom.Phi_fom.phi Accepted label: fom=hltofom.Phi_fom.fom mtz labels taken: FP SIGFP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Parameter file /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp4-1.8-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp4-1.8-parrot-mrncs ############### You are running ARP/wARP 8.0 ############### ============================================================ Please cite at least one of the publications below for the ARP/wARP application you are using: Lamzin VS, Wilson KS. (1993) Automated refinement of protein models. Acta Crystallogr D Biol Crystallogr. 49, 129-147 Morris RJ, Perrakis A. Lamzin VS. (2003) ARP/wARP and automatic interpretation of protein electron density maps. In Methods Enzymol. (Carter, C.W. & Sweet, R.M. eds.) 374, 229-244 Langer GG, Hazledine S, Wiegels T, Carolan C, Lamzin VS. (2013) Visual automated macromolecular model building. Acta Crystallogr D Biol Crystallogr. 69, 635-641 Use of Refmac is an essential part of model building with ARP/wARP. Please acknowledge the use of Refmac by citing the following publication: Murshudov GN, Skubak P, Lebedev AA, Pannu NS, Steiner RA, Nicholls RA, Winn MD, Long F, Vagin AA. (2011) REFMAC5 for the refinement of macromolecular crystal structures. Acta Crystallogr D Biol Crystallogr. 67, 355-367 ============================================================ Mon 24 Dec 01:13:40 GMT 2018 You are running ARP/wARP version 8.0 Entering warp_tracing.sh from COMMAND_LINE_SUBMISSION The working directory: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp4-1.8-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp4-1.8-parrot-mrncs/arp_warp_classic.par ARP/wARP will run in subdirectory: temp_tracing Checking the estimated solvent content Computed solvent content is outside allowed range. Target number of residues/nucleotides is changed to 982 and 0 Target number of residues in the AU: 982 Target solvent content: 0.5064 Checking the provided sequence file Detected sequence length: 425 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 850 Adjusted target solvent content: 0.57 Input MTZ file: 1vp4-1.8-parrot-mrncs.mtz.cad Column labels for model refinement: FP SIGFP Column labels to obtain initial map: FP hltofom.Phi_fom.phi hltofom.Phi_fom.fom Space group number: 170 Cell parameters: 164.860 164.860 68.609 90.000 90.000 120.000 Input sequence file: 1vp4-1.8-parrot-mrncs.fasta_lf Building free atoms model in initial map for 6800 target number of atoms Had to go as low as 0.55 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 1 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 142.773 1.820 Wilson plot Bfac: 24.83 94163 reflections ( 98.74 % complete ) and 0 restraints for refining 7570 atoms. Observations/parameters ratio is 3.11 ------------------------------------------------------ Starting model: R = 0.3315 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2834 (Rfree = 0.000) for 7570 atoms. Found 273 (339 requested) and removed 181 (169 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.12 1.93 NCS extension: 0 residues added, 7662 seeds are put forward Round 1: 663 peptides, 68 chains. Longest chain 25 peptides. Score 0.701 Round 2: 732 peptides, 40 chains. Longest chain 58 peptides. Score 0.841 Round 3: 762 peptides, 24 chains. Longest chain 107 peptides. Score 0.892 Round 4: 782 peptides, 20 chains. Longest chain 124 peptides. Score 0.907 Round 5: 785 peptides, 24 chains. Longest chain 124 peptides. Score 0.900 Taking the results from Round 4 Chains 27, Residues 762, Estimated correctness of the model 99.3 % 14 chains (663 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 181 A and 184 A Built loop between residues 272 A and 278 A Built loop between residues 295 A and 299 A Built loop between residues 372 A and 375 A Built loop between residues 116 B and 123 B Built loop between residues 137 B and 143 B Built loop between residues 257 B and 263 B Built loop between residues 385 B and 388 B Built loop between residues 402 B and 405 B 14 chains (782 residues) following loop building 5 chains (695 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 8150 restraints for refining 7321 atoms. 2055 conditional restraints added. Observations/parameters ratio is 3.22 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2850 (Rfree = 0.000) for 7321 atoms. Found 288 (328 requested) and removed 176 (164 requested) atoms. Cycle 2: After refmac, R = 0.2501 (Rfree = 0.000) for 7423 atoms. Found 241 (326 requested) and removed 129 (166 requested) atoms. Cycle 3: After refmac, R = 0.2333 (Rfree = 0.000) for 7506 atoms. Found 207 (324 requested) and removed 73 (168 requested) atoms. Cycle 4: After refmac, R = 0.2227 (Rfree = 0.000) for 7597 atoms. Found 194 (328 requested) and removed 80 (171 requested) atoms. Cycle 5: After refmac, R = 0.2160 (Rfree = 0.000) for 7684 atoms. Found 188 (331 requested) and removed 88 (172 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.02 1.84 NCS extension: 15 residues added (90 deleted due to clashes), 7806 seeds are put forward Round 1: 802 peptides, 14 chains. Longest chain 111 peptides. Score 0.924 Round 2: 811 peptides, 12 chains. Longest chain 225 peptides. Score 0.930 Round 3: 814 peptides, 10 chains. Longest chain 226 peptides. Score 0.934 Round 4: 803 peptides, 10 chains. Longest chain 220 peptides. Score 0.931 Round 5: 810 peptides, 12 chains. Longest chain 201 peptides. Score 0.930 Taking the results from Round 3 Chains 11, Residues 804, Estimated correctness of the model 99.6 % 9 chains (790 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 115 A and 118 A Built loop between residues 138 A and 141 A Built loop between residues 198 A and 201 A Built loop between residues 288 A and 291 A Built loop between residues 59 B and 62 B Built loop between residues 140 B and 143 B Built loop between residues 198 B and 201 B 4 chains (818 residues) following loop building 2 chains (804 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7383 restraints for refining 7494 atoms. 706 conditional restraints added. Observations/parameters ratio is 3.14 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2350 (Rfree = 0.000) for 7494 atoms. Found 218 (322 requested) and removed 158 (167 requested) atoms. Cycle 7: After refmac, R = 0.2128 (Rfree = 0.000) for 7551 atoms. Found 212 (318 requested) and removed 57 (169 requested) atoms. Cycle 8: After refmac, R = 0.2040 (Rfree = 0.000) for 7700 atoms. Found 163 (324 requested) and removed 97 (172 requested) atoms. Cycle 9: After refmac, R = 0.2002 (Rfree = 0.000) for 7737 atoms. Found 208 (320 requested) and removed 101 (174 requested) atoms. Cycle 10: After refmac, R = 0.1968 (Rfree = 0.000) for 7825 atoms. Found 180 (323 requested) and removed 120 (175 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.02 1.84 NCS extension: 11 residues added (7 deleted due to clashes), 7898 seeds are put forward Round 1: 813 peptides, 11 chains. Longest chain 135 peptides. Score 0.932 Round 2: 813 peptides, 10 chains. Longest chain 225 peptides. Score 0.934 Round 3: 818 peptides, 10 chains. Longest chain 135 peptides. Score 0.935 Round 4: 815 peptides, 12 chains. Longest chain 226 peptides. Score 0.931 Round 5: 819 peptides, 10 chains. Longest chain 169 peptides. Score 0.935 Taking the results from Round 5 Chains 13, Residues 809, Estimated correctness of the model 99.6 % 9 chains (798 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 26 A and 32 A Built loop between residues 199 A and 202 A Built loop between residues 291 A and 295 A Built loop between residues 322 A and 325 A Built loop between residues 140 B and 143 B Built loop between residues 198 B and 201 B Built loop between residues 288 B and 291 B 5 chains (826 residues) following loop building 2 chains (816 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7384 restraints for refining 7533 atoms. 640 conditional restraints added. Observations/parameters ratio is 3.13 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2101 (Rfree = 0.000) for 7533 atoms. Found 284 (303 requested) and removed 130 (168 requested) atoms. Cycle 12: After refmac, R = 0.1990 (Rfree = 0.000) for 7674 atoms. Found 181 (310 requested) and removed 81 (172 requested) atoms. Cycle 13: After refmac, R = 0.1920 (Rfree = 0.000) for 7760 atoms. Found 230 (313 requested) and removed 86 (174 requested) atoms. Cycle 14: After refmac, R = 0.1903 (Rfree = 0.000) for 7890 atoms. Found 208 (319 requested) and removed 134 (177 requested) atoms. Cycle 15: After refmac, R = 0.1874 (Rfree = 0.000) for 7946 atoms. Found 232 (313 requested) and removed 120 (178 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.01 1.83 NCS extension: 5 residues added (7 deleted due to clashes), 8065 seeds are put forward Round 1: 816 peptides, 12 chains. Longest chain 135 peptides. Score 0.931 Round 2: 820 peptides, 11 chains. Longest chain 225 peptides. Score 0.934 Round 3: 816 peptides, 15 chains. Longest chain 111 peptides. Score 0.926 Round 4: 819 peptides, 11 chains. Longest chain 225 peptides. Score 0.933 Round 5: 820 peptides, 11 chains. Longest chain 135 peptides. Score 0.934 Taking the results from Round 5 Chains 12, Residues 809, Estimated correctness of the model 99.6 % 11 chains (806 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 A and 62 A Built loop between residues 139 A and 142 A Built loop between residues 198 A and 201 A Built loop between residues 288 A and 291 A Built loop between residues 27 B and 31 B Built loop between residues 115 B and 118 B Built loop between residues 138 B and 141 B Built loop between residues 198 B and 201 B Built loop between residues 288 B and 291 B 3 chains (828 residues) following loop building 2 chains (825 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7427 restraints for refining 7600 atoms. 630 conditional restraints added. Observations/parameters ratio is 3.10 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2051 (Rfree = 0.000) for 7600 atoms. Found 292 (292 requested) and removed 134 (170 requested) atoms. Cycle 17: After refmac, R = 0.1967 (Rfree = 0.000) for 7750 atoms. Found 207 (298 requested) and removed 104 (173 requested) atoms. Cycle 18: After refmac, R = 0.1919 (Rfree = 0.000) for 7845 atoms. Found 196 (295 requested) and removed 110 (175 requested) atoms. Cycle 19: After refmac, R = 0.1888 (Rfree = 0.000) for 7914 atoms. Found 220 (291 requested) and removed 134 (177 requested) atoms. Cycle 20: After refmac, R = 0.1886 (Rfree = 0.000) for 7990 atoms. Found 213 (286 requested) and removed 167 (179 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.01 1.83 NCS extension: 2 residues added (1 deleted due to clashes), 8040 seeds are put forward Round 1: 819 peptides, 12 chains. Longest chain 135 peptides. Score 0.932 Round 2: 820 peptides, 12 chains. Longest chain 164 peptides. Score 0.932 Round 3: 817 peptides, 11 chains. Longest chain 135 peptides. Score 0.933 Round 4: 820 peptides, 10 chains. Longest chain 225 peptides. Score 0.935 Round 5: 819 peptides, 11 chains. Longest chain 225 peptides. Score 0.933 Taking the results from Round 4 Chains 10, Residues 810, Estimated correctness of the model 99.6 % 9 chains (794 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 115 A and 118 A Built loop between residues 139 A and 142 A Built loop between residues 182 A and 185 A Built loop between residues 198 A and 201 A Built loop between residues 115 B and 118 B Built loop between residues 139 B and 142 B Built loop between residues 198 B and 201 B 3 chains (824 residues) following loop building 2 chains (808 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7517 restraints for refining 7608 atoms. 795 conditional restraints added. Observations/parameters ratio is 3.09 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2026 (Rfree = 0.000) for 7608 atoms. Found 266 (266 requested) and removed 129 (170 requested) atoms. Cycle 22: After refmac, R = 0.1948 (Rfree = 0.000) for 7738 atoms. Found 203 (271 requested) and removed 100 (173 requested) atoms. Cycle 23: After refmac, R = 0.1895 (Rfree = 0.000) for 7835 atoms. Found 199 (274 requested) and removed 108 (175 requested) atoms. Cycle 24: After refmac, R = 0.1871 (Rfree = 0.000) for 7916 atoms. Found 167 (270 requested) and removed 151 (177 requested) atoms. Cycle 25: After refmac, R = 0.1842 (Rfree = 0.000) for 7923 atoms. Found 199 (263 requested) and removed 122 (177 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.01 1.83 NCS extension: 11 residues added (9 deleted due to clashes), 8012 seeds are put forward Round 1: 821 peptides, 11 chains. Longest chain 135 peptides. Score 0.934 Round 2: 821 peptides, 10 chains. Longest chain 225 peptides. Score 0.936 Round 3: 819 peptides, 12 chains. Longest chain 135 peptides. Score 0.932 Round 4: 818 peptides, 10 chains. Longest chain 225 peptides. Score 0.935 Round 5: 814 peptides, 16 chains. Longest chain 135 peptides. Score 0.924 Taking the results from Round 2 Chains 13, Residues 811, Estimated correctness of the model 99.7 % 10 chains (808 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 26 A and 31 A Built loop between residues 59 A and 62 A Built loop between residues 140 A and 143 A Built loop between residues 198 A and 201 A Built loop between residues 115 B and 118 B Built loop between residues 138 B and 141 B Built loop between residues 198 B and 201 B Built loop between residues 259 B and 262 B 3 chains (827 residues) following loop building 2 chains (826 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7390 restraints for refining 7636 atoms. 593 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2010 (Rfree = 0.000) for 7636 atoms. Found 246 (246 requested) and removed 140 (171 requested) atoms. Cycle 27: After refmac, R = 0.1906 (Rfree = 0.000) for 7729 atoms. Found 206 (243 requested) and removed 91 (173 requested) atoms. Cycle 28: After refmac, R = 0.1851 (Rfree = 0.000) for 7839 atoms. Found 202 (246 requested) and removed 108 (175 requested) atoms. Cycle 29: After refmac, R = 0.1812 (Rfree = 0.000) for 7928 atoms. Found 183 (241 requested) and removed 136 (177 requested) atoms. Cycle 30: After refmac, R = 0.1796 (Rfree = 0.000) for 7960 atoms. Found 220 (236 requested) and removed 141 (178 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.01 1.83 NCS extension: 0 residues added, 8042 seeds are put forward Round 1: 818 peptides, 12 chains. Longest chain 135 peptides. Score 0.932 Round 2: 822 peptides, 8 chains. Longest chain 225 peptides. Score 0.939 Round 3: 817 peptides, 12 chains. Longest chain 135 peptides. Score 0.931 Round 4: 821 peptides, 8 chains. Longest chain 225 peptides. Score 0.939 Round 5: 818 peptides, 10 chains. Longest chain 225 peptides. Score 0.935 Taking the results from Round 4 Chains 10, Residues 813, Estimated correctness of the model 99.7 % 8 chains (811 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 26 A and 31 A Built loop between residues 139 A and 142 A Built loop between residues 198 A and 201 A Built loop between residues 139 B and 142 B Built loop between residues 199 B and 202 B Built loop between residues 256 B and 260 B 3 chains (827 residues) following loop building 3 chains (827 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7419 restraints for refining 7618 atoms. 622 conditional restraints added. Observations/parameters ratio is 3.09 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1993 (Rfree = 0.000) for 7618 atoms. Found 218 (218 requested) and removed 131 (170 requested) atoms. Cycle 32: After refmac, R = 0.1881 (Rfree = 0.000) for 7700 atoms. Found 201 (214 requested) and removed 73 (172 requested) atoms. Cycle 33: After refmac, R = 0.1848 (Rfree = 0.000) for 7819 atoms. Found 184 (217 requested) and removed 112 (175 requested) atoms. Cycle 34: After refmac, R = 0.1827 (Rfree = 0.000) for 7882 atoms. Found 168 (212 requested) and removed 116 (176 requested) atoms. Cycle 35: After refmac, R = 0.1801 (Rfree = 0.000) for 7924 atoms. Found 187 (206 requested) and removed 122 (177 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.01 1.83 NCS extension: 0 residues added, 7990 seeds are put forward Round 1: 818 peptides, 12 chains. Longest chain 135 peptides. Score 0.932 Round 2: 823 peptides, 9 chains. Longest chain 165 peptides. Score 0.938 Round 3: 817 peptides, 13 chains. Longest chain 135 peptides. Score 0.930 Round 4: 822 peptides, 8 chains. Longest chain 225 peptides. Score 0.939 Round 5: 817 peptides, 13 chains. Longest chain 135 peptides. Score 0.930 Taking the results from Round 4 Chains 10, Residues 814, Estimated correctness of the model 99.7 % 7 chains (808 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 139 A and 142 A Built loop between residues 198 A and 201 A Built loop between residues 26 B and 31 B Built loop between residues 139 B and 142 B Built loop between residues 198 B and 201 B 4 chains (825 residues) following loop building 2 chains (820 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7408 restraints for refining 7612 atoms. 648 conditional restraints added. Observations/parameters ratio is 3.09 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1999 (Rfree = 0.000) for 7612 atoms. Found 191 (191 requested) and removed 117 (170 requested) atoms. Cycle 37: After refmac, R = 0.1896 (Rfree = 0.000) for 7683 atoms. Found 186 (186 requested) and removed 72 (172 requested) atoms. Cycle 38: After refmac, R = 0.1863 (Rfree = 0.000) for 7795 atoms. Found 188 (188 requested) and removed 117 (174 requested) atoms. Cycle 39: After refmac, R = 0.1814 (Rfree = 0.000) for 7858 atoms. Found 183 (183 requested) and removed 107 (176 requested) atoms. Cycle 40: After refmac, R = 0.1801 (Rfree = 0.000) for 7925 atoms. Found 171 (177 requested) and removed 127 (177 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.01 1.83 NCS extension: 2 residues added (2 deleted due to clashes), 7973 seeds are put forward Round 1: 818 peptides, 12 chains. Longest chain 135 peptides. Score 0.932 Round 2: 818 peptides, 9 chains. Longest chain 225 peptides. Score 0.937 Round 3: 819 peptides, 10 chains. Longest chain 135 peptides. Score 0.935 Round 4: 810 peptides, 11 chains. Longest chain 225 peptides. Score 0.931 Round 5: 819 peptides, 10 chains. Longest chain 135 peptides. Score 0.935 Taking the results from Round 2 Chains 10, Residues 809, Estimated correctness of the model 99.7 % 9 chains (808 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 A and 62 A Built loop between residues 140 A and 144 A Built loop between residues 198 A and 201 A Built loop between residues 259 A and 262 A Built loop between residues 27 B and 31 B Built loop between residues 139 B and 142 B Built loop between residues 198 B and 201 B 2 chains (824 residues) following loop building 2 chains (824 residues) in sequence following loop building ------------------------------------------------------ 94163 reflections ( 98.74 % complete ) and 7439 restraints for refining 7640 atoms. 664 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1972 (Rfree = 0.000) for 7640 atoms. Found 171 (171 requested) and removed 129 (171 requested) atoms. Cycle 42: After refmac, R = 0.1888 (Rfree = 0.000) for 7675 atoms. Found 172 (172 requested) and removed 66 (172 requested) atoms. Cycle 43: After refmac, R = 0.1832 (Rfree = 0.000) for 7775 atoms. Found 174 (174 requested) and removed 81 (174 requested) atoms. Cycle 44: After refmac, R = 0.1809 (Rfree = 0.000) for 7862 atoms. Found 176 (176 requested) and removed 103 (176 requested) atoms. Cycle 45: After refmac, R = 0.1786 (Rfree = 0.000) for 7930 atoms. Found 177 (177 requested) and removed 114 (177 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.01 1.83 NCS extension: 0 residues added, 7995 seeds are put forward Round 1: 815 peptides, 12 chains. Longest chain 135 peptides. Score 0.931 Round 2: 812 peptides, 12 chains. Longest chain 164 peptides. Score 0.930 Round 3: 815 peptides, 12 chains. Longest chain 135 peptides. Score 0.931 Round 4: 811 peptides, 12 chains. Longest chain 195 peptides. Score 0.930 Round 5: 814 peptides, 11 chains. Longest chain 135 peptides. Score 0.932 Taking the results from Round 5 Last building cycle: Chain fragments will be rearranged Chains 14, Residues 803, Estimated correctness of the model 99.6 % 11 chains (797 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 27 A and 36 A Built loop between residues 140 A and 143 A Built loop between residues 198 A and 201 A Built loop between residues 259 A and 262 A Built loop between residues 288 A and 291 A Built loop between residues 139 B and 143 B Built loop between residues 184 B and 187 B Built loop between residues 198 B and 201 B Built loop between residues 288 B and 291 B 2 chains (822 residues) following loop building 2 chains (822 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 94163 reflections ( 98.74 % complete ) and 6761 restraints for refining 6622 atoms. Observations/parameters ratio is 3.55 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2428 (Rfree = 0.000) for 6622 atoms. Found 144 (148 requested) and removed 0 (148 requested) atoms. Cycle 47: After refmac, R = 0.2225 (Rfree = 0.000) for 6622 atoms. Found 59 (151 requested) and removed 0 (151 requested) atoms. Cycle 48: After refmac, R = 0.2088 (Rfree = 0.000) for 6622 atoms. Found 36 (152 requested) and removed 6 (152 requested) atoms. Cycle 49: After refmac, R = 0.2018 (Rfree = 0.000) for 6622 atoms. Found 23 (153 requested) and removed 6 (153 requested) atoms. Writing output files ... TimeTaking 115