null Mon 24 Dec 08:07:17 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 1ztc-2.1-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/1ztc-2.1-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/1ztc-2.1-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-noncs 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/noncs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-noncs ############### 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 08:07:21 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/noncs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/1ztc-2.1-parrot-noncs/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-noncs.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-noncs.fasta_lf Building free atoms model in initial map for 7072 target number of atoms Had to go as low as 1.00 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 7814 atoms. Observations/parameters ratio is 3.20 ------------------------------------------------------ Starting model: R = 0.3587 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3043 (Rfree = 0.000) for 7814 atoms. Found 232 (232 requested) and removed 116 (116 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.35 1.69 NCS extension: 0 residues added, 7930 seeds are put forward Round 1: 695 peptides, 59 chains. Longest chain 43 peptides. Score 0.619 Round 2: 746 peptides, 41 chains. Longest chain 79 peptides. Score 0.708 Round 3: 782 peptides, 37 chains. Longest chain 62 peptides. Score 0.738 Round 4: 781 peptides, 22 chains. Longest chain 103 peptides. Score 0.777 Round 5: 789 peptides, 28 chains. Longest chain 79 peptides. Score 0.766 Taking the results from Round 4 Chains 26, Residues 759, Estimated correctness of the model 94.7 % 15 chains (673 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 23 A and 29 A Built loop between residues 46 A and 49 A Built loop between residues 56 C and 60 C Built loop between residues 110 C and 120 C Built loop between residues 50 B and 59 B Built loop between residues 115 B and 118 B Built loop between residues 108 D and 115 D 16 chains (787 residues) following loop building 8 chains (708 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 8602 restraints for refining 7751 atoms. 2401 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2901 (Rfree = 0.000) for 7751 atoms. Found 231 (231 requested) and removed 135 (115 requested) atoms. Cycle 2: After refmac, R = 0.2569 (Rfree = 0.000) for 7779 atoms. Found 228 (228 requested) and removed 111 (116 requested) atoms. Cycle 3: After refmac, R = 0.2394 (Rfree = 0.000) for 7817 atoms. Found 230 (230 requested) and removed 72 (117 requested) atoms. Cycle 4: After refmac, R = 0.2295 (Rfree = 0.000) for 7916 atoms. Found 232 (232 requested) and removed 88 (118 requested) atoms. Cycle 5: After refmac, R = 0.2222 (Rfree = 0.000) for 8010 atoms. Found 235 (235 requested) and removed 100 (120 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.27 1.63 NCS extension: 26 residues added (318 deleted due to clashes), 8179 seeds are put forward Round 1: 808 peptides, 22 chains. Longest chain 101 peptides. Score 0.789 Round 2: 810 peptides, 16 chains. Longest chain 142 peptides. Score 0.805 Round 3: 813 peptides, 15 chains. Longest chain 208 peptides. Score 0.808 Round 4: 813 peptides, 16 chains. Longest chain 105 peptides. Score 0.806 Round 5: 803 peptides, 18 chains. Longest chain 148 peptides. Score 0.797 Taking the results from Round 3 Chains 15, Residues 798, Estimated correctness of the model 96.0 % 14 chains (795 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 48 A and 51 A Built loop between residues 69 A and 72 A Built loop between residues 110 A and 113 A Built loop between residues 195 A and 198 A Built loop between residues 48 C and 51 C Built loop between residues 108 C and 113 C Built loop between residues 150 C and 153 C Built loop between residues 48 B and 51 B Built loop between residues 105 B and 114 B Built loop between residues 150 B and 153 B 4 chains (823 residues) following loop building 4 chains (823 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7450 restraints for refining 7699 atoms. 600 conditional restraints added. Observations/parameters ratio is 3.25 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2213 (Rfree = 0.000) for 7699 atoms. Found 224 (224 requested) and removed 111 (114 requested) atoms. Cycle 7: After refmac, R = 0.2047 (Rfree = 0.000) for 7788 atoms. Found 227 (227 requested) and removed 61 (116 requested) atoms. Cycle 8: After refmac, R = 0.1940 (Rfree = 0.000) for 7930 atoms. Found 232 (232 requested) and removed 91 (118 requested) atoms. Cycle 9: After refmac, R = 0.1881 (Rfree = 0.000) for 8043 atoms. Found 235 (235 requested) and removed 105 (120 requested) atoms. Cycle 10: After refmac, R = 0.1865 (Rfree = 0.000) for 8145 atoms. Found 238 (238 requested) and removed 132 (121 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8255 seeds are put forward Round 1: 814 peptides, 19 chains. Longest chain 113 peptides. Score 0.799 Round 2: 819 peptides, 11 chains. Longest chain 171 peptides. Score 0.820 Round 3: 815 peptides, 18 chains. Longest chain 108 peptides. Score 0.802 Round 4: 819 peptides, 17 chains. Longest chain 113 peptides. Score 0.806 Round 5: 815 peptides, 14 chains. Longest chain 110 peptides. Score 0.811 Taking the results from Round 2 Chains 11, Residues 808, Estimated correctness of the model 96.4 % 11 chains (808 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 23 A and 26 A Built loop between residues 104 A and 107 A Built loop between residues 152 A and 156 A Built loop between residues 99 C and 103 C Built loop between residues 46 B and 49 B Built loop between residues 70 D and 73 D Built loop between residues 112 D and 115 D 4 chains (824 residues) following loop building 4 chains (824 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7405 restraints for refining 7754 atoms. 544 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2017 (Rfree = 0.000) for 7754 atoms. Found 222 (222 requested) and removed 94 (115 requested) atoms. Cycle 12: After refmac, R = 0.1900 (Rfree = 0.000) for 7866 atoms. Found 225 (225 requested) and removed 101 (117 requested) atoms. Cycle 13: After refmac, R = 0.1842 (Rfree = 0.000) for 7972 atoms. Found 228 (228 requested) and removed 105 (119 requested) atoms. Cycle 14: After refmac, R = 0.1804 (Rfree = 0.000) for 8090 atoms. Found 231 (231 requested) and removed 136 (120 requested) atoms. Cycle 15: After refmac, R = 0.1801 (Rfree = 0.000) for 8168 atoms. Found 229 (229 requested) and removed 135 (122 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8263 seeds are put forward Round 1: 821 peptides, 16 chains. Longest chain 103 peptides. Score 0.809 Round 2: 823 peptides, 8 chains. Longest chain 207 peptides. Score 0.828 Round 3: 819 peptides, 15 chains. Longest chain 129 peptides. Score 0.811 Round 4: 818 peptides, 13 chains. Longest chain 207 peptides. Score 0.815 Round 5: 813 peptides, 16 chains. Longest chain 142 peptides. Score 0.806 Taking the results from Round 2 Chains 8, Residues 815, Estimated correctness of the model 96.7 % 8 chains (815 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 103 A and 106 A Built loop between residues 103 C and 106 C Built loop between residues 113 B and 116 B Built loop between residues 195 B and 198 B 4 chains (823 residues) following loop building 4 chains (823 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7373 restraints for refining 7735 atoms. 523 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1996 (Rfree = 0.000) for 7735 atoms. Found 212 (212 requested) and removed 83 (115 requested) atoms. Cycle 17: After refmac, R = 0.1886 (Rfree = 0.000) for 7849 atoms. Found 215 (215 requested) and removed 65 (117 requested) atoms. Cycle 18: After refmac, R = 0.1831 (Rfree = 0.000) for 7989 atoms. Found 219 (219 requested) and removed 108 (119 requested) atoms. Cycle 19: After refmac, R = 0.1810 (Rfree = 0.000) for 8081 atoms. Found 222 (222 requested) and removed 128 (120 requested) atoms. Cycle 20: After refmac, R = 0.1790 (Rfree = 0.000) for 8163 atoms. Found 219 (219 requested) and removed 134 (121 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8249 seeds are put forward Round 1: 822 peptides, 14 chains. Longest chain 103 peptides. Score 0.814 Round 2: 823 peptides, 9 chains. Longest chain 142 peptides. Score 0.826 Round 3: 819 peptides, 14 chains. Longest chain 130 peptides. Score 0.813 Round 4: 820 peptides, 13 chains. Longest chain 172 peptides. Score 0.816 Round 5: 812 peptides, 19 chains. Longest chain 103 peptides. Score 0.798 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 150 A and 154 A Built loop between residues 99 C and 103 C Built loop between residues 46 B and 49 B Built loop between residues 153 B and 156 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 7376 restraints for refining 7792 atoms. 515 conditional restraints added. Observations/parameters ratio is 3.21 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1983 (Rfree = 0.000) for 7792 atoms. Found 204 (204 requested) and removed 82 (116 requested) atoms. Cycle 22: After refmac, R = 0.1879 (Rfree = 0.000) for 7896 atoms. Found 207 (207 requested) and removed 83 (117 requested) atoms. Cycle 23: After refmac, R = 0.1834 (Rfree = 0.000) for 8008 atoms. Found 210 (210 requested) and removed 120 (119 requested) atoms. Cycle 24: After refmac, R = 0.1793 (Rfree = 0.000) for 8092 atoms. Found 207 (207 requested) and removed 129 (120 requested) atoms. Cycle 25: After refmac, R = 0.1788 (Rfree = 0.000) for 8154 atoms. Found 204 (204 requested) and removed 135 (121 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8225 seeds are put forward Round 1: 819 peptides, 15 chains. Longest chain 148 peptides. Score 0.811 Round 2: 826 peptides, 7 chains. Longest chain 208 peptides. Score 0.831 Round 3: 821 peptides, 14 chains. Longest chain 113 peptides. Score 0.814 Round 4: 813 peptides, 15 chains. Longest chain 101 peptides. Score 0.808 Round 5: 811 peptides, 20 chains. Longest chain 148 peptides. Score 0.795 Taking the results from Round 2 Chains 7, Residues 819, Estimated correctness of the model 96.8 % 7 chains (819 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 149 A and 152 A Built loop between residues 103 C and 106 C 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 7363 restraints for refining 7742 atoms. 493 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2109 (Rfree = 0.000) for 7742 atoms. Found 189 (189 requested) and removed 66 (115 requested) atoms. Cycle 27: After refmac, R = 0.1918 (Rfree = 0.000) for 7855 atoms. Found 192 (192 requested) and removed 47 (117 requested) atoms. Cycle 28: After refmac, R = 0.1835 (Rfree = 0.000) for 7988 atoms. Found 195 (195 requested) and removed 105 (119 requested) atoms. Cycle 29: After refmac, R = 0.1818 (Rfree = 0.000) for 8070 atoms. Found 192 (192 requested) and removed 125 (120 requested) atoms. Cycle 30: After refmac, R = 0.1782 (Rfree = 0.000) for 8122 atoms. Found 189 (189 requested) and removed 126 (121 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8187 seeds are put forward Round 1: 821 peptides, 13 chains. Longest chain 114 peptides. Score 0.816 Round 2: 824 peptides, 9 chains. Longest chain 208 peptides. Score 0.826 Round 3: 814 peptides, 18 chains. Longest chain 114 peptides. Score 0.801 Round 4: 818 peptides, 16 chains. Longest chain 131 peptides. Score 0.808 Round 5: 808 peptides, 18 chains. Longest chain 169 peptides. Score 0.799 Taking the results from Round 2 Chains 9, Residues 815, Estimated correctness of the model 96.6 % 8 chains (799 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 110 A and 113 A Built loop between residues 104 C and 107 C Built loop between residues 150 C and 153 C Built loop between residues 103 B and 106 B 5 chains (822 residues) following loop building 4 chains (807 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7501 restraints for refining 7732 atoms. 710 conditional restraints added. Observations/parameters ratio is 3.23 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1993 (Rfree = 0.000) for 7732 atoms. Found 175 (175 requested) and removed 87 (115 requested) atoms. Cycle 32: After refmac, R = 0.1883 (Rfree = 0.000) for 7800 atoms. Found 177 (177 requested) and removed 72 (116 requested) atoms. Cycle 33: After refmac, R = 0.1825 (Rfree = 0.000) for 7890 atoms. Found 179 (179 requested) and removed 87 (117 requested) atoms. Cycle 34: After refmac, R = 0.1799 (Rfree = 0.000) for 7974 atoms. Found 180 (180 requested) and removed 107 (118 requested) atoms. Cycle 35: After refmac, R = 0.1800 (Rfree = 0.000) for 8041 atoms. Found 177 (177 requested) and removed 139 (119 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added (17 deleted due to clashes), 8079 seeds are put forward Round 1: 826 peptides, 13 chains. Longest chain 141 peptides. Score 0.818 Round 2: 823 peptides, 10 chains. Longest chain 139 peptides. Score 0.824 Round 3: 817 peptides, 15 chains. Longest chain 130 peptides. Score 0.810 Round 4: 824 peptides, 10 chains. Longest chain 208 peptides. Score 0.824 Round 5: 815 peptides, 17 chains. Longest chain 162 peptides. Score 0.804 Taking the results from Round 4 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 87 C and 90 C Built loop between residues 149 C and 153 C Built loop between residues 50 B and 52 B Built loop between residues 69 B and 72 B Built loop between residues 149 B and 152 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 7360 restraints for refining 7707 atoms. 482 conditional restraints added. Observations/parameters ratio is 3.25 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1993 (Rfree = 0.000) for 7707 atoms. Found 165 (165 requested) and removed 73 (114 requested) atoms. Cycle 37: After refmac, R = 0.1882 (Rfree = 0.000) for 7784 atoms. Found 167 (167 requested) and removed 49 (116 requested) atoms. Cycle 38: After refmac, R = 0.1832 (Rfree = 0.000) for 7895 atoms. Found 169 (169 requested) and removed 67 (117 requested) atoms. Cycle 39: After refmac, R = 0.1806 (Rfree = 0.000) for 7988 atoms. Found 171 (171 requested) and removed 78 (119 requested) atoms. Cycle 40: After refmac, R = 0.1789 (Rfree = 0.000) for 8076 atoms. Found 173 (173 requested) and removed 119 (120 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8132 seeds are put forward Round 1: 823 peptides, 13 chains. Longest chain 141 peptides. Score 0.817 Round 2: 821 peptides, 10 chains. Longest chain 208 peptides. Score 0.823 Round 3: 814 peptides, 16 chains. Longest chain 102 peptides. Score 0.806 Round 4: 821 peptides, 12 chains. Longest chain 169 peptides. Score 0.818 Round 5: 817 peptides, 17 chains. Longest chain 110 peptides. Score 0.805 Taking the results from Round 2 Chains 11, Residues 811, Estimated correctness of the model 96.5 % 10 chains (808 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 110 A and 113 A Built loop between residues 148 A and 151 A Built loop between residues 197 A and 204 A Built loop between residues 103 C and 106 C Built loop between residues 25 B and 29 B Built loop between residues 140 B and 143 B 4 chains (825 residues) following loop building 4 chains (825 residues) in sequence following loop building ------------------------------------------------------ 100039 reflections ( 97.76 % complete ) and 7381 restraints for refining 7757 atoms. 512 conditional restraints added. Observations/parameters ratio is 3.22 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2151 (Rfree = 0.000) for 7757 atoms. Found 162 (162 requested) and removed 78 (115 requested) atoms. Cycle 42: After refmac, R = 0.1956 (Rfree = 0.000) for 7830 atoms. Found 163 (163 requested) and removed 39 (116 requested) atoms. Cycle 43: After refmac, R = 0.1870 (Rfree = 0.000) for 7933 atoms. Found 166 (166 requested) and removed 63 (118 requested) atoms. Cycle 44: After refmac, R = 0.1827 (Rfree = 0.000) for 8028 atoms. Found 167 (167 requested) and removed 92 (119 requested) atoms. Cycle 45: After refmac, R = 0.1801 (Rfree = 0.000) for 8085 atoms. Found 164 (164 requested) and removed 127 (120 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.27 1.63 NCS extension: 0 residues added, 8124 seeds are put forward Round 1: 823 peptides, 13 chains. Longest chain 103 peptides. Score 0.817 Round 2: 824 peptides, 9 chains. Longest chain 188 peptides. Score 0.826 Round 3: 819 peptides, 16 chains. Longest chain 113 peptides. Score 0.808 Round 4: 821 peptides, 12 chains. Longest chain 207 peptides. Score 0.818 Round 5: 815 peptides, 17 chains. Longest chain 131 peptides. Score 0.804 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 11, Residues 815, Estimated correctness of the model 96.6 % 9 chains (812 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 198 A and 203 A Built loop between residues 150 C and 154 C Built loop between residues 195 C and 198 C Built loop between residues 103 B and 106 B Built loop between residues 153 D and 156 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 6869 restraints for refining 6697 atoms. Observations/parameters ratio is 3.73 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2430 (Rfree = 0.000) for 6697 atoms. Found 131 (131 requested) and removed 0 (131 requested) atoms. Cycle 47: After refmac, R = 0.2191 (Rfree = 0.000) for 6697 atoms. Found 96 (134 requested) and removed 1 (101 requested) atoms. Cycle 48: After refmac, R = 0.2031 (Rfree = 0.000) for 6697 atoms. Found 71 (136 requested) and removed 8 (103 requested) atoms. Cycle 49: After refmac, R = 0.1982 (Rfree = 0.000) for 6697 atoms. Found 48 (137 requested) and removed 8 (104 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 09:55:05 GMT 2018 Job finished. TimeTaking 107.8 Used memory is bytes: 11666888