null Sun 23 Dec 22:23:10 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir Job ID is set to 1ztc-2.1-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/1ztc-2.1-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/1ztc-2.1-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-hancs 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/hancs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-hancs ############### 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 ============================================================ Sun 23 Dec 22:23:18 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/hancs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-hancs/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 1467 and 0 Target number of residues in the AU: 1467 Target solvent content: 0.5438 Checking the provided sequence file Detected sequence length: 221 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 4 Adjusted target number of residues: 884 Adjusted target solvent content: 0.73 Input MTZ file: 1ztc-2.1-parrot-hancs.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: 19 Cell parameters: 89.783 127.343 152.224 90.000 90.000 90.000 Input sequence file: 1ztc-2.1-parrot-hancs.fasta_lf Building free atoms model in initial map for 7072 target number of atoms Had to go as low as 0.95 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: 97.673 2.100 Wilson plot Bfac: 33.80 100039 reflections ( 97.76 % complete ) and 0 restraints for refining 7785 atoms. Observations/parameters ratio is 3.21 ------------------------------------------------------ Starting model: R = 0.3272 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2716 (Rfree = 0.000) for 7785 atoms. Found 232 (232 requested) and removed 51 (116 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.32 1.67 NCS extension: 0 residues added, 7966 seeds are put forward Round 1: 716 peptides, 64 chains. Longest chain 33 peptides. Score 0.616 Round 2: 761 peptides, 39 chains. Longest chain 49 peptides. Score 0.722 Round 3: 785 peptides, 30 chains. Longest chain 72 peptides. Score 0.758 Round 4: 799 peptides, 21 chains. Longest chain 109 peptides. Score 0.788 Round 5: 807 peptides, 21 chains. Longest chain 155 peptides. Score 0.791 Taking the results from Round 5 Chains 23, Residues 786, Estimated correctness of the model 95.3 % 15 chains (733 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 76 A and 79 A Built loop between residues 149 A and 156 A Built loop between residues 203 C and 207 C Built loop between residues 181 B and 184 B Built loop between residues 165 D and 168 D 18 chains (801 residues) following loop building 10 chains (748 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 8375 restraints for refining 7645 atoms. 1936 conditional restraints added. Observations/parameters ratio is 3.27 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2575 (Rfree = 0.000) for 7645 atoms. Found 228 (228 requested) and removed 103 (114 requested) atoms. Cycle 2: After refmac, R = 0.2323 (Rfree = 0.000) for 7687 atoms. Found 231 (231 requested) and removed 35 (115 requested) atoms. Cycle 3: After refmac, R = 0.2175 (Rfree = 0.000) for 7829 atoms. Found 234 (234 requested) and removed 54 (117 requested) atoms. Cycle 4: After refmac, R = 0.2079 (Rfree = 0.000) for 7957 atoms. Found 238 (238 requested) and removed 52 (119 requested) atoms. Cycle 5: After refmac, R = 0.2043 (Rfree = 0.000) for 8091 atoms. Found 242 (242 requested) and removed 116 (121 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.26 1.62 NCS extension: 1 residues added (167 deleted due to clashes), 8223 seeds are put forward Round 1: 821 peptides, 14 chains. Longest chain 147 peptides. Score 0.814 Round 2: 824 peptides, 10 chains. Longest chain 141 peptides. Score 0.824 Round 3: 820 peptides, 12 chains. Longest chain 148 peptides. Score 0.818 Round 4: 820 peptides, 16 chains. Longest chain 112 peptides. Score 0.809 Round 5: 817 peptides, 19 chains. Longest chain 121 peptides. Score 0.800 Taking the results from Round 2 Chains 10, Residues 814, Estimated correctness of the model 96.6 % 10 chains (814 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 103 A and 106 A Built loop between residues 112 C and 115 C Built loop between residues 70 B and 73 B Built loop between residues 86 B and 89 B Built loop between residues 150 B and 153 B Built loop between residues 151 D and 154 D 4 chains (826 residues) following loop building 4 chains (826 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7454 restraints for refining 7733 atoms. 577 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2257 (Rfree = 0.000) for 7733 atoms. Found 230 (230 requested) and removed 75 (115 requested) atoms. Cycle 7: After refmac, R = 0.2066 (Rfree = 0.000) for 7883 atoms. Found 235 (235 requested) and removed 80 (117 requested) atoms. Cycle 8: After refmac, R = 0.1979 (Rfree = 0.000) for 8001 atoms. Found 239 (239 requested) and removed 98 (119 requested) atoms. Cycle 9: After refmac, R = 0.1935 (Rfree = 0.000) for 8118 atoms. Found 242 (242 requested) and removed 130 (121 requested) atoms. Cycle 10: After refmac, R = 0.1918 (Rfree = 0.000) for 8201 atoms. Found 240 (240 requested) and removed 132 (122 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8311 seeds are put forward Round 1: 827 peptides, 12 chains. Longest chain 186 peptides. Score 0.821 Round 2: 821 peptides, 13 chains. Longest chain 114 peptides. Score 0.816 Round 3: 822 peptides, 11 chains. Longest chain 130 peptides. Score 0.821 Round 4: 820 peptides, 15 chains. Longest chain 159 peptides. Score 0.811 Round 5: 818 peptides, 16 chains. Longest chain 105 peptides. Score 0.808 Taking the results from Round 3 Chains 11, Residues 811, Estimated correctness of the model 96.4 % 11 chains (811 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 100 A and 103 A Built loop between residues 70 C and 73 C Built loop between residues 86 C and 89 C Built loop between residues 69 B and 72 B Built loop between residues 151 B and 154 B Built loop between residues 104 D and 107 D Built loop between residues 149 D and 153 D 4 chains (826 residues) following loop building 4 chains (826 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7477 restraints for refining 7805 atoms. 600 conditional restraints added. Observations/parameters ratio is 3.20 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2230 (Rfree = 0.000) for 7805 atoms. Found 223 (223 requested) and removed 77 (116 requested) atoms. Cycle 12: After refmac, R = 0.2032 (Rfree = 0.000) for 7945 atoms. Found 228 (228 requested) and removed 65 (118 requested) atoms. Cycle 13: After refmac, R = 0.1947 (Rfree = 0.000) for 8091 atoms. Found 231 (231 requested) and removed 97 (120 requested) atoms. Cycle 14: After refmac, R = 0.1918 (Rfree = 0.000) for 8200 atoms. Found 235 (235 requested) and removed 125 (122 requested) atoms. Cycle 15: After refmac, R = 0.1880 (Rfree = 0.000) for 8291 atoms. Found 232 (232 requested) and removed 134 (123 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8390 seeds are put forward Round 1: 819 peptides, 17 chains. Longest chain 103 peptides. Score 0.806 Round 2: 822 peptides, 11 chains. Longest chain 208 peptides. Score 0.821 Round 3: 822 peptides, 10 chains. Longest chain 188 peptides. Score 0.823 Round 4: 821 peptides, 12 chains. Longest chain 185 peptides. Score 0.818 Round 5: 813 peptides, 18 chains. Longest chain 167 peptides. Score 0.801 Taking the results from Round 3 Chains 12, Residues 812, Estimated correctness of the model 96.5 % 10 chains (809 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 152 A and 155 A Built loop between residues 69 C and 72 C Built loop between residues 50 B and 52 B Built loop between residues 86 B and 89 B Built loop between residues 149 B and 153 B Built loop between residues 198 D and 203 D 5 chains (825 residues) following loop building 4 chains (823 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7502 restraints for refining 7856 atoms. 644 conditional restraints added. Observations/parameters ratio is 3.18 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2031 (Rfree = 0.000) for 7856 atoms. Found 215 (215 requested) and removed 89 (117 requested) atoms. Cycle 17: After refmac, R = 0.1910 (Rfree = 0.000) for 7955 atoms. Found 218 (218 requested) and removed 95 (118 requested) atoms. Cycle 18: After refmac, R = 0.1847 (Rfree = 0.000) for 8069 atoms. Found 221 (221 requested) and removed 121 (120 requested) atoms. Cycle 19: After refmac, R = 0.1818 (Rfree = 0.000) for 8147 atoms. Found 219 (219 requested) and removed 132 (121 requested) atoms. Cycle 20: After refmac, R = 0.1794 (Rfree = 0.000) for 8227 atoms. Found 216 (216 requested) and removed 143 (122 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.26 1.62 NCS extension: 0 residues added, 8302 seeds are put forward Round 1: 824 peptides, 15 chains. Longest chain 103 peptides. Score 0.813 Round 2: 822 peptides, 11 chains. Longest chain 139 peptides. Score 0.821 Round 3: 816 peptides, 16 chains. Longest chain 118 peptides. Score 0.807 Round 4: 822 peptides, 12 chains. Longest chain 141 peptides. Score 0.819 Round 5: 818 peptides, 17 chains. Longest chain 153 peptides. Score 0.805 Taking the results from Round 2 Chains 11, Residues 811, Estimated correctness of the model 96.4 % 11 chains (811 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 25 A and 28 A Built loop between residues 103 A and 106 A Built loop between residues 103 C and 106 C Built loop between residues 70 B and 73 B Built loop between residues 110 B and 114 B Built loop between residues 150 B and 153 B Built loop between residues 149 D and 152 D 4 chains (826 residues) following loop building 4 chains (826 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7426 restraints for refining 7827 atoms. 549 conditional restraints added. Observations/parameters ratio is 3.20 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2006 (Rfree = 0.000) for 7827 atoms. Found 200 (200 requested) and removed 81 (116 requested) atoms. Cycle 22: After refmac, R = 0.1881 (Rfree = 0.000) for 7929 atoms. Found 203 (203 requested) and removed 81 (118 requested) atoms. Cycle 23: After refmac, R = 0.1817 (Rfree = 0.000) for 8039 atoms. Found 206 (206 requested) and removed 103 (120 requested) atoms. Cycle 24: After refmac, R = 0.1787 (Rfree = 0.000) for 8134 atoms. Found 208 (208 requested) and removed 129 (121 requested) atoms. Cycle 25: After refmac, R = 0.1777 (Rfree = 0.000) for 8200 atoms. Found 205 (205 requested) and removed 144 (122 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8266 seeds are put forward Round 1: 825 peptides, 13 chains. Longest chain 147 peptides. Score 0.818 Round 2: 825 peptides, 11 chains. Longest chain 115 peptides. Score 0.822 Round 3: 822 peptides, 13 chains. Longest chain 108 peptides. Score 0.816 Round 4: 820 peptides, 10 chains. Longest chain 207 peptides. Score 0.822 Round 5: 813 peptides, 18 chains. Longest chain 128 peptides. Score 0.801 Taking the results from Round 4 Chains 12, Residues 810, Estimated correctness of the model 96.5 % 10 chains (798 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 149 A and 153 A Built loop between residues 201 A and 208 A Built loop between residues 50 C and 52 C Built loop between residues 69 C and 72 C Built loop between residues 100 C and 105 C Built loop between residues 50 B and 61 B 5 chains (828 residues) following loop building 4 chains (824 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7555 restraints for refining 7858 atoms. 681 conditional restraints added. Observations/parameters ratio is 3.18 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2101 (Rfree = 0.000) for 7858 atoms. Found 192 (192 requested) and removed 123 (117 requested) atoms. Cycle 27: After refmac, R = 0.1954 (Rfree = 0.000) for 7911 atoms. Found 189 (189 requested) and removed 103 (118 requested) atoms. Cycle 28: After refmac, R = 0.1891 (Rfree = 0.000) for 7993 atoms. Found 186 (186 requested) and removed 93 (119 requested) atoms. Cycle 29: After refmac, R = 0.1853 (Rfree = 0.000) for 8075 atoms. Found 188 (188 requested) and removed 128 (120 requested) atoms. Cycle 30: After refmac, R = 0.1833 (Rfree = 0.000) for 8126 atoms. Found 184 (184 requested) and removed 134 (121 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.26 1.62 NCS extension: 0 residues added (95 deleted due to clashes), 8181 seeds are put forward Round 1: 823 peptides, 16 chains. Longest chain 147 peptides. Score 0.810 Round 2: 824 peptides, 8 chains. Longest chain 205 peptides. Score 0.828 Round 3: 816 peptides, 15 chains. Longest chain 105 peptides. Score 0.809 Round 4: 823 peptides, 9 chains. Longest chain 208 peptides. Score 0.826 Round 5: 818 peptides, 15 chains. Longest chain 148 peptides. Score 0.810 Taking the results from Round 2 Chains 10, Residues 816, Estimated correctness of the model 96.7 % 9 chains (811 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 200 A and 207 A Built loop between residues 75 C and 78 C Built loop between residues 25 B and 28 B Built loop between residues 103 B and 106 B Built loop between residues 149 D and 152 D 4 chains (825 residues) following loop building 4 chains (825 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7415 restraints for refining 7746 atoms. 545 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2029 (Rfree = 0.000) for 7746 atoms. Found 170 (170 requested) and removed 89 (115 requested) atoms. Cycle 32: After refmac, R = 0.1901 (Rfree = 0.000) for 7810 atoms. Found 168 (168 requested) and removed 55 (116 requested) atoms. Cycle 33: After refmac, R = 0.1840 (Rfree = 0.000) for 7911 atoms. Found 170 (170 requested) and removed 81 (118 requested) atoms. Cycle 34: After refmac, R = 0.1808 (Rfree = 0.000) for 7994 atoms. Found 171 (171 requested) and removed 114 (119 requested) atoms. Cycle 35: After refmac, R = 0.1791 (Rfree = 0.000) for 8039 atoms. Found 168 (168 requested) and removed 116 (120 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8093 seeds are put forward Round 1: 823 peptides, 15 chains. Longest chain 103 peptides. Score 0.812 Round 2: 823 peptides, 9 chains. Longest chain 205 peptides. Score 0.826 Round 3: 818 peptides, 15 chains. Longest chain 205 peptides. Score 0.810 Round 4: 817 peptides, 16 chains. Longest chain 142 peptides. Score 0.807 Round 5: 815 peptides, 18 chains. Longest chain 129 peptides. Score 0.802 Taking the results from Round 2 Chains 10, Residues 814, Estimated correctness of the model 96.6 % 9 chains (812 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 103 C and 106 C Built loop between residues 70 B and 73 B Built loop between residues 110 B and 115 B Built loop between residues 148 B and 151 B Built loop between residues 149 D and 152 D 4 chains (824 residues) following loop building 4 chains (824 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7410 restraints for refining 7728 atoms. 549 conditional restraints added. Observations/parameters ratio is 3.24 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1999 (Rfree = 0.000) for 7728 atoms. Found 156 (156 requested) and removed 72 (115 requested) atoms. Cycle 37: After refmac, R = 0.1884 (Rfree = 0.000) for 7804 atoms. Found 158 (158 requested) and removed 65 (116 requested) atoms. Cycle 38: After refmac, R = 0.1822 (Rfree = 0.000) for 7889 atoms. Found 160 (160 requested) and removed 100 (117 requested) atoms. Cycle 39: After refmac, R = 0.1796 (Rfree = 0.000) for 7946 atoms. Found 156 (156 requested) and removed 106 (118 requested) atoms. Cycle 40: After refmac, R = 0.1777 (Rfree = 0.000) for 7988 atoms. Found 152 (152 requested) and removed 126 (119 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.26 1.62 NCS extension: 0 residues added, 8019 seeds are put forward Round 1: 819 peptides, 16 chains. Longest chain 103 peptides. Score 0.808 Round 2: 824 peptides, 9 chains. Longest chain 208 peptides. Score 0.826 Round 3: 818 peptides, 14 chains. Longest chain 115 peptides. Score 0.812 Round 4: 815 peptides, 18 chains. Longest chain 110 peptides. Score 0.802 Round 5: 818 peptides, 15 chains. Longest chain 112 peptides. Score 0.810 Taking the results from Round 2 Chains 9, Residues 815, Estimated correctness of the model 96.6 % 9 chains (815 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 103 C and 106 C Built loop between residues 69 B and 72 B Built loop between residues 156 B and 159 B Built loop between residues 113 D and 116 D Built loop between residues 148 D and 151 D 4 chains (825 residues) following loop building 4 chains (825 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7416 restraints for refining 7724 atoms. 546 conditional restraints added. Observations/parameters ratio is 3.24 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1992 (Rfree = 0.000) for 7724 atoms. Found 143 (143 requested) and removed 83 (115 requested) atoms. Cycle 42: After refmac, R = 0.1862 (Rfree = 0.000) for 7775 atoms. Found 139 (139 requested) and removed 57 (116 requested) atoms. Cycle 43: After refmac, R = 0.1810 (Rfree = 0.000) for 7852 atoms. Found 140 (140 requested) and removed 97 (117 requested) atoms. Cycle 44: After refmac, R = 0.1768 (Rfree = 0.000) for 7894 atoms. Found 136 (136 requested) and removed 85 (117 requested) atoms. Cycle 45: After refmac, R = 0.1765 (Rfree = 0.000) for 7938 atoms. Found 132 (132 requested) and removed 108 (118 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.26 1.62 NCS extension: 0 residues added, 7963 seeds are put forward Round 1: 823 peptides, 14 chains. Longest chain 103 peptides. Score 0.814 Round 2: 823 peptides, 11 chains. Longest chain 208 peptides. Score 0.821 Round 3: 815 peptides, 17 chains. Longest chain 101 peptides. Score 0.804 Round 4: 812 peptides, 16 chains. Longest chain 115 peptides. Score 0.805 Round 5: 817 peptides, 16 chains. Longest chain 139 peptides. Score 0.807 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 12, Residues 812, Estimated correctness of the model 96.4 % 11 chains (810 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 69 C and 72 C Built loop between residues 150 C and 154 C Built loop between residues 190 C and 193 C Built loop between residues 103 B and 106 B Built loop between residues 113 D and 116 D Built loop between residues 128 D and 131 D Built loop between residues 148 D and 151 D 4 chains (825 residues) following loop building 4 chains (825 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 100039 reflections ( 97.76 % complete ) and 6870 restraints for refining 6699 atoms. Observations/parameters ratio is 3.73 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2440 (Rfree = 0.000) for 6699 atoms. Found 107 (107 requested) and removed 0 (107 requested) atoms. Cycle 47: After refmac, R = 0.2204 (Rfree = 0.000) for 6699 atoms. Found 109 (109 requested) and removed 3 (101 requested) atoms. Cycle 48: After refmac, R = 0.2053 (Rfree = 0.000) for 6699 atoms. Found 79 (111 requested) and removed 6 (103 requested) atoms. Cycle 49: After refmac, R = 0.1973 (Rfree = 0.000) for 6699 atoms. Found 59 (112 requested) and removed 8 (104 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 00:31:13 GMT 2018 Job finished. TimeTaking 128.05 Used memory is bytes: 21543328