null Sun 23 Dec 22:23:05 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 2fna-2.0-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2fna-2.0-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2fna-2.0-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fna-2.0-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/2fna-2.0-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fna-2.0-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 22:23:15 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/2fna-2.0-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fna-2.0-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 717 and 0 Target number of residues in the AU: 717 Target solvent content: 0.5347 Checking the provided sequence file Detected sequence length: 357 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 714 Adjusted target solvent content: 0.54 Input MTZ file: 2fna-2.0-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: 4 Cell parameters: 55.380 108.390 70.600 90.000 100.307 90.000 Input sequence file: 2fna-2.0-parrot-hancs.fasta_lf Building free atoms model in initial map for 5712 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: 69.461 2.000 Wilson plot Bfac: 31.44 53519 reflections ( 96.80 % complete ) and 0 restraints for refining 6379 atoms. Observations/parameters ratio is 2.10 ------------------------------------------------------ Starting model: R = 0.3380 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2907 (Rfree = 0.000) for 6379 atoms. Found 126 (218 requested) and removed 111 (109 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.27 2.15 NCS extension: 0 residues added, 6394 seeds are put forward Round 1: 443 peptides, 68 chains. Longest chain 17 peptides. Score 0.507 Round 2: 510 peptides, 47 chains. Longest chain 46 peptides. Score 0.725 Round 3: 555 peptides, 40 chains. Longest chain 54 peptides. Score 0.798 Round 4: 582 peptides, 32 chains. Longest chain 54 peptides. Score 0.846 Round 5: 589 peptides, 31 chains. Longest chain 115 peptides. Score 0.854 Taking the results from Round 5 Chains 31, Residues 558, Estimated correctness of the model 97.9 % 10 chains (399 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 170 A and 175 A Built loop between residues 193 A and 199 A Built loop between residues 312 A and 314 A Built loop between residues 185 B and 189 B 27 chains (571 residues) following loop building 6 chains (412 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 7974 restraints for refining 6027 atoms. 3886 conditional restraints added. Observations/parameters ratio is 2.22 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3127 (Rfree = 0.000) for 6027 atoms. Found 176 (206 requested) and removed 120 (103 requested) atoms. Cycle 2: After refmac, R = 0.2849 (Rfree = 0.000) for 6053 atoms. Found 115 (204 requested) and removed 105 (104 requested) atoms. Cycle 3: After refmac, R = 0.2692 (Rfree = 0.000) for 6038 atoms. Found 84 (199 requested) and removed 44 (103 requested) atoms. Cycle 4: After refmac, R = 0.2595 (Rfree = 0.000) for 6064 atoms. Found 83 (196 requested) and removed 22 (104 requested) atoms. Cycle 5: After refmac, R = 0.2511 (Rfree = 0.000) for 6111 atoms. Found 70 (196 requested) and removed 31 (104 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.20 2.09 NCS extension: 106 residues added (192 deleted due to clashes), 6262 seeds are put forward Round 1: 600 peptides, 26 chains. Longest chain 66 peptides. Score 0.875 Round 2: 616 peptides, 21 chains. Longest chain 103 peptides. Score 0.897 Round 3: 619 peptides, 22 chains. Longest chain 127 peptides. Score 0.895 Round 4: 614 peptides, 24 chains. Longest chain 82 peptides. Score 0.888 Round 5: 593 peptides, 28 chains. Longest chain 76 peptides. Score 0.865 Taking the results from Round 2 Chains 22, Residues 595, Estimated correctness of the model 98.9 % 9 chains (525 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 158 A and 166 A Built loop between residues 209 A and 212 A Built loop between residues 190 B and 196 B Built loop between residues 252 B and 255 B 16 chains (605 residues) following loop building 5 chains (541 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 7078 restraints for refining 6221 atoms. 2245 conditional restraints added. Observations/parameters ratio is 2.15 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2639 (Rfree = 0.000) for 6221 atoms. Found 155 (200 requested) and removed 116 (106 requested) atoms. Cycle 7: After refmac, R = 0.2455 (Rfree = 0.000) for 6250 atoms. Found 109 (197 requested) and removed 82 (107 requested) atoms. Cycle 8: After refmac, R = 0.2353 (Rfree = 0.000) for 6268 atoms. Found 81 (193 requested) and removed 51 (107 requested) atoms. Cycle 9: After refmac, R = 0.2280 (Rfree = 0.000) for 6291 atoms. Found 83 (189 requested) and removed 37 (107 requested) atoms. Cycle 10: After refmac, R = 0.2226 (Rfree = 0.000) for 6332 atoms. Found 73 (191 requested) and removed 47 (108 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.19 2.08 NCS extension: 21 residues added (63 deleted due to clashes), 6389 seeds are put forward Round 1: 604 peptides, 23 chains. Longest chain 126 peptides. Score 0.886 Round 2: 618 peptides, 18 chains. Longest chain 226 peptides. Score 0.905 Round 3: 618 peptides, 21 chains. Longest chain 141 peptides. Score 0.897 Round 4: 613 peptides, 20 chains. Longest chain 103 peptides. Score 0.898 Round 5: 611 peptides, 22 chains. Longest chain 72 peptides. Score 0.892 Taking the results from Round 2 Chains 20, Residues 600, Estimated correctness of the model 99.0 % 13 chains (562 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 29 A and 32 A Built loop between residues 27 B and 30 B Built loop between residues 161 B and 164 B Built loop between residues 230 B and 233 B Built loop between residues 248 B and 251 B Built loop between residues 341 B and 345 B 14 chains (613 residues) following loop building 7 chains (575 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 6910 restraints for refining 6313 atoms. 1890 conditional restraints added. Observations/parameters ratio is 2.12 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2437 (Rfree = 0.000) for 6313 atoms. Found 146 (186 requested) and removed 112 (108 requested) atoms. Cycle 12: After refmac, R = 0.2261 (Rfree = 0.000) for 6341 atoms. Found 114 (182 requested) and removed 41 (108 requested) atoms. Cycle 13: After refmac, R = 0.2153 (Rfree = 0.000) for 6410 atoms. Found 90 (184 requested) and removed 34 (109 requested) atoms. Cycle 14: After refmac, R = 0.2099 (Rfree = 0.000) for 6456 atoms. Found 94 (186 requested) and removed 35 (110 requested) atoms. Cycle 15: After refmac, R = 0.2049 (Rfree = 0.000) for 6513 atoms. Found 85 (187 requested) and removed 28 (111 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.18 2.07 NCS extension: 65 residues added (109 deleted due to clashes), 6640 seeds are put forward Round 1: 622 peptides, 18 chains. Longest chain 128 peptides. Score 0.907 Round 2: 624 peptides, 16 chains. Longest chain 125 peptides. Score 0.912 Round 3: 620 peptides, 19 chains. Longest chain 88 peptides. Score 0.903 Round 4: 627 peptides, 16 chains. Longest chain 122 peptides. Score 0.914 Round 5: 621 peptides, 21 chains. Longest chain 68 peptides. Score 0.899 Taking the results from Round 4 Chains 16, Residues 611, Estimated correctness of the model 99.2 % 10 chains (503 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 19 A and 22 A Built loop between residues 165 A and 168 A Built loop between residues 341 A and 345 A Built loop between residues 186 B and 191 B Built loop between residues 213 B and 216 B 11 chains (624 residues) following loop building 5 chains (516 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 7495 restraints for refining 6362 atoms. 2705 conditional restraints added. Observations/parameters ratio is 2.10 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2293 (Rfree = 0.000) for 6362 atoms. Found 174 (182 requested) and removed 92 (108 requested) atoms. Cycle 17: After refmac, R = 0.2143 (Rfree = 0.000) for 6438 atoms. Found 133 (180 requested) and removed 37 (110 requested) atoms. Cycle 18: After refmac, R = 0.2048 (Rfree = 0.000) for 6530 atoms. Found 101 (183 requested) and removed 44 (111 requested) atoms. Cycle 19: After refmac, R = 0.1999 (Rfree = 0.000) for 6580 atoms. Found 89 (184 requested) and removed 45 (112 requested) atoms. Cycle 20: After refmac, R = 0.1961 (Rfree = 0.000) for 6621 atoms. Found 75 (181 requested) and removed 55 (113 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.19 2.08 NCS extension: 3 residues added (17 deleted due to clashes), 6647 seeds are put forward Round 1: 633 peptides, 15 chains. Longest chain 167 peptides. Score 0.918 Round 2: 628 peptides, 20 chains. Longest chain 94 peptides. Score 0.904 Round 3: 631 peptides, 17 chains. Longest chain 164 peptides. Score 0.913 Round 4: 628 peptides, 20 chains. Longest chain 132 peptides. Score 0.904 Round 5: 623 peptides, 26 chains. Longest chain 87 peptides. Score 0.886 Taking the results from Round 1 Chains 16, Residues 618, Estimated correctness of the model 99.3 % 10 chains (591 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 143 A and 146 A Built loop between residues 341 A and 345 A Built loop between residues 143 B and 146 B Built loop between residues 311 B and 314 B 12 chains (627 residues) following loop building 6 chains (600 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 6791 restraints for refining 6517 atoms. 1603 conditional restraints added. Observations/parameters ratio is 2.05 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2224 (Rfree = 0.000) for 6517 atoms. Found 151 (174 requested) and removed 117 (111 requested) atoms. Cycle 22: After refmac, R = 0.2082 (Rfree = 0.000) for 6548 atoms. Found 101 (170 requested) and removed 34 (112 requested) atoms. Cycle 23: After refmac, R = 0.1992 (Rfree = 0.000) for 6607 atoms. Found 84 (172 requested) and removed 45 (113 requested) atoms. Cycle 24: After refmac, R = 0.1955 (Rfree = 0.000) for 6640 atoms. Found 82 (168 requested) and removed 52 (113 requested) atoms. Cycle 25: After refmac, R = 0.1923 (Rfree = 0.000) for 6669 atoms. Found 95 (164 requested) and removed 52 (114 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.18 2.07 NCS extension: 29 residues added (124 deleted due to clashes), 6742 seeds are put forward Round 1: 633 peptides, 18 chains. Longest chain 212 peptides. Score 0.911 Round 2: 637 peptides, 16 chains. Longest chain 212 peptides. Score 0.917 Round 3: 642 peptides, 14 chains. Longest chain 167 peptides. Score 0.923 Round 4: 637 peptides, 19 chains. Longest chain 128 peptides. Score 0.910 Round 5: 627 peptides, 23 chains. Longest chain 93 peptides. Score 0.896 Taking the results from Round 3 Chains 14, Residues 628, Estimated correctness of the model 99.4 % 8 chains (576 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 41 A and 44 A Built loop between residues 341 A and 345 A Built loop between residues 209 B and 212 B 11 chains (635 residues) following loop building 5 chains (583 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 6876 restraints for refining 6438 atoms. 1748 conditional restraints added. Observations/parameters ratio is 2.08 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2158 (Rfree = 0.000) for 6438 atoms. Found 154 (154 requested) and removed 85 (110 requested) atoms. Cycle 27: After refmac, R = 0.2039 (Rfree = 0.000) for 6503 atoms. Found 110 (151 requested) and removed 39 (111 requested) atoms. Cycle 28: After refmac, R = 0.1978 (Rfree = 0.000) for 6571 atoms. Found 95 (153 requested) and removed 55 (112 requested) atoms. Cycle 29: After refmac, R = 0.1937 (Rfree = 0.000) for 6604 atoms. Found 91 (149 requested) and removed 48 (113 requested) atoms. Cycle 30: After refmac, R = 0.1914 (Rfree = 0.000) for 6643 atoms. Found 87 (145 requested) and removed 46 (113 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.18 2.07 NCS extension: 92 residues added (204 deleted due to clashes), 6777 seeds are put forward Round 1: 639 peptides, 16 chains. Longest chain 212 peptides. Score 0.918 Round 2: 649 peptides, 14 chains. Longest chain 183 peptides. Score 0.926 Round 3: 639 peptides, 17 chains. Longest chain 155 peptides. Score 0.916 Round 4: 633 peptides, 20 chains. Longest chain 119 peptides. Score 0.906 Round 5: 634 peptides, 19 chains. Longest chain 124 peptides. Score 0.909 Taking the results from Round 2 Chains 14, Residues 635, Estimated correctness of the model 99.4 % 9 chains (582 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 26 A and 29 A Built loop between residues 304 A and 307 A Built loop between residues 341 B and 345 B 11 chains (642 residues) following loop building 6 chains (589 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 6904 restraints for refining 6540 atoms. 1704 conditional restraints added. Observations/parameters ratio is 2.05 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2223 (Rfree = 0.000) for 6540 atoms. Found 139 (139 requested) and removed 120 (112 requested) atoms. Cycle 32: After refmac, R = 0.2048 (Rfree = 0.000) for 6553 atoms. Found 108 (134 requested) and removed 39 (112 requested) atoms. Cycle 33: After refmac, R = 0.1959 (Rfree = 0.000) for 6619 atoms. Found 90 (136 requested) and removed 45 (113 requested) atoms. Cycle 34: After refmac, R = 0.1908 (Rfree = 0.000) for 6660 atoms. Found 85 (137 requested) and removed 41 (114 requested) atoms. Cycle 35: After refmac, R = 0.1874 (Rfree = 0.000) for 6703 atoms. Found 85 (137 requested) and removed 45 (114 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.17 2.06 NCS extension: 11 residues added (91 deleted due to clashes), 6757 seeds are put forward Round 1: 639 peptides, 15 chains. Longest chain 212 peptides. Score 0.920 Round 2: 644 peptides, 13 chains. Longest chain 161 peptides. Score 0.926 Round 3: 639 peptides, 15 chains. Longest chain 137 peptides. Score 0.920 Round 4: 639 peptides, 15 chains. Longest chain 146 peptides. Score 0.920 Round 5: 637 peptides, 21 chains. Longest chain 129 peptides. Score 0.905 Taking the results from Round 2 Chains 15, Residues 631, Estimated correctness of the model 99.4 % 10 chains (617 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 46 A and 49 A Built loop between residues 209 A and 212 A Built loop between residues 311 A and 314 A Built loop between residues 284 B and 288 B Built loop between residues 341 B and 344 B 9 chains (641 residues) following loop building 5 chains (628 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 6636 restraints for refining 6515 atoms. 1279 conditional restraints added. Observations/parameters ratio is 2.05 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2127 (Rfree = 0.000) for 6515 atoms. Found 129 (129 requested) and removed 105 (111 requested) atoms. Cycle 37: After refmac, R = 0.2007 (Rfree = 0.000) for 6537 atoms. Found 125 (125 requested) and removed 43 (112 requested) atoms. Cycle 38: After refmac, R = 0.1941 (Rfree = 0.000) for 6618 atoms. Found 90 (127 requested) and removed 53 (113 requested) atoms. Cycle 39: After refmac, R = 0.1912 (Rfree = 0.000) for 6653 atoms. Found 103 (123 requested) and removed 57 (113 requested) atoms. Cycle 40: After refmac, R = 0.1888 (Rfree = 0.000) for 6695 atoms. Found 92 (119 requested) and removed 75 (114 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.18 2.07 NCS extension: 93 residues added (168 deleted due to clashes), 6807 seeds are put forward Round 1: 646 peptides, 12 chains. Longest chain 212 peptides. Score 0.929 Round 2: 648 peptides, 14 chains. Longest chain 190 peptides. Score 0.925 Round 3: 640 peptides, 15 chains. Longest chain 195 peptides. Score 0.920 Round 4: 644 peptides, 15 chains. Longest chain 144 peptides. Score 0.922 Round 5: 636 peptides, 19 chains. Longest chain 119 peptides. Score 0.910 Taking the results from Round 1 Chains 12, Residues 634, Estimated correctness of the model 99.4 % 9 chains (624 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 144 A and 147 A Built loop between residues 341 A and 345 A Built loop between residues 26 B and 29 B Built loop between residues 143 B and 146 B 8 chains (643 residues) following loop building 5 chains (633 residues) in sequence following loop building ------------------------------------------------------ 53519 reflections ( 96.80 % complete ) and 6565 restraints for refining 6511 atoms. 1173 conditional restraints added. Observations/parameters ratio is 2.05 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2116 (Rfree = 0.000) for 6511 atoms. Found 111 (111 requested) and removed 104 (111 requested) atoms. Cycle 42: After refmac, R = 0.1995 (Rfree = 0.000) for 6514 atoms. Found 111 (111 requested) and removed 33 (111 requested) atoms. Cycle 43: After refmac, R = 0.1936 (Rfree = 0.000) for 6590 atoms. Found 87 (112 requested) and removed 42 (112 requested) atoms. Cycle 44: After refmac, R = 0.1902 (Rfree = 0.000) for 6634 atoms. Found 87 (113 requested) and removed 49 (113 requested) atoms. Cycle 45: After refmac, R = 0.1878 (Rfree = 0.000) for 6670 atoms. Found 80 (114 requested) and removed 64 (114 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.17 2.06 NCS extension: 17 residues added (39 deleted due to clashes), 6704 seeds are put forward Round 1: 644 peptides, 17 chains. Longest chain 167 peptides. Score 0.917 Round 2: 643 peptides, 13 chains. Longest chain 212 peptides. Score 0.926 Round 3: 645 peptides, 14 chains. Longest chain 146 peptides. Score 0.924 Round 4: 636 peptides, 18 chains. Longest chain 140 peptides. Score 0.912 Round 5: 631 peptides, 17 chains. Longest chain 142 peptides. Score 0.913 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 15, Residues 630, Estimated correctness of the model 99.4 % 10 chains (617 residues) have been docked in sequence Sequence coverage is 97 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 143 A and 146 A Built loop between residues 232 A and 235 A Built loop between residues 285 A and 289 A Built loop between residues 341 A and 345 A Built loop between residues 143 B and 146 B 9 chains (641 residues) following loop building 5 chains (629 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 53519 reflections ( 96.80 % complete ) and 5372 restraints for refining 5270 atoms. Observations/parameters ratio is 2.54 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2771 (Rfree = 0.000) for 5270 atoms. Found 51 (90 requested) and removed 0 (90 requested) atoms. Cycle 47: After refmac, R = 0.2615 (Rfree = 0.000) for 5270 atoms. Found 22 (91 requested) and removed 0 (91 requested) atoms. Cycle 48: After refmac, R = 0.2513 (Rfree = 0.000) for 5270 atoms. Found 18 (91 requested) and removed 5 (91 requested) atoms. Cycle 49: After refmac, R = 0.2453 (Rfree = 0.000) for 5270 atoms. Found 19 (91 requested) and removed 5 (91 requested) atoms. Writing output files ... Normal termination of warpNtrace Sun 23 Dec 23:56:47 GMT 2018 Job finished. TimeTaking 93.69 Used memory is bytes: 14579016