Sun 23 Dec 22:22:56 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 2iiu-2.3-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2iiu-2.3-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2iiu-2.3-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-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/2iiu-2.3-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-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 22:23:05 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/2iiu-2.3-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-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 653 and 0 Target number of residues in the AU: 653 Target solvent content: 0.5369 Checking the provided sequence file Detected sequence length: 227 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 3 Adjusted target number of residues: 681 Adjusted target solvent content: 0.52 Input MTZ file: 2iiu-2.3-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: 155 Cell parameters: 99.900 99.900 397.311 90.000 90.000 120.000 Input sequence file: 2iiu-2.3-parrot-hancs.fasta_lf Building free atoms model in initial map for 5448 target number of atoms Had to go as low as 0.60 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 3 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: 132.437 2.300 Wilson plot Bfac: 31.91 34461 reflections ( 99.68 % complete ) and 0 restraints for refining 6067 atoms. Observations/parameters ratio is 1.42 ------------------------------------------------------ Starting model: R = 0.3252 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2375 (Rfree = 0.000) for 6067 atoms. Found 113 (139 requested) and removed 117 (69 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.32 2.26 NCS extension: 0 residues added, 6063 seeds are put forward Round 1: 403 peptides, 61 chains. Longest chain 24 peptides. Score 0.513 Round 2: 476 peptides, 51 chains. Longest chain 33 peptides. Score 0.692 Round 3: 519 peptides, 35 chains. Longest chain 49 peptides. Score 0.814 Round 4: 545 peptides, 28 chains. Longest chain 55 peptides. Score 0.859 Round 5: 554 peptides, 28 chains. Longest chain 68 peptides. Score 0.864 Taking the results from Round 5 Chains 32, Residues 526, Estimated correctness of the model 97.1 % 15 chains (428 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 194 A and 199 A Built loop between residues 211 A and 214 A Built loop between residues 112 C and 115 C Built loop between residues 207 C and 211 C Built loop between residues 43 B and 46 B Built loop between residues 72 B and 82 B Built loop between residues 98 B and 101 B 21 chains (546 residues) following loop building 8 chains (452 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 6466 restraints for refining 5330 atoms. 2500 conditional restraints added. Observations/parameters ratio is 1.62 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2744 (Rfree = 0.000) for 5330 atoms. Found 122 (122 requested) and removed 83 (61 requested) atoms. Cycle 2: After refmac, R = 0.2432 (Rfree = 0.000) for 5328 atoms. Found 84 (121 requested) and removed 62 (61 requested) atoms. Cycle 3: After refmac, R = 0.2272 (Rfree = 0.000) for 5295 atoms. Found 70 (117 requested) and removed 65 (61 requested) atoms. Cycle 4: After refmac, R = 0.2170 (Rfree = 0.000) for 5283 atoms. Found 56 (114 requested) and removed 61 (60 requested) atoms. Cycle 5: After refmac, R = 0.2109 (Rfree = 0.000) for 5269 atoms. Found 70 (111 requested) and removed 62 (60 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.32 2.26 NCS extension: 11 residues added (35 deleted due to clashes), 5307 seeds are put forward Round 1: 549 peptides, 17 chains. Longest chain 72 peptides. Score 0.896 Round 2: 556 peptides, 19 chains. Longest chain 72 peptides. Score 0.894 Round 3: 568 peptides, 21 chains. Longest chain 72 peptides. Score 0.893 Round 4: 559 peptides, 23 chains. Longest chain 64 peptides. Score 0.883 Round 5: 570 peptides, 24 chains. Longest chain 70 peptides. Score 0.886 Taking the results from Round 1 Chains 19, Residues 532, Estimated correctness of the model 98.2 % 11 chains (450 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 40 A and 47 A Built loop between residues 110 C and 113 C 15 chains (538 residues) following loop building 9 chains (458 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 6098 restraints for refining 5165 atoms. 2106 conditional restraints added. Observations/parameters ratio is 1.67 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2352 (Rfree = 0.000) for 5165 atoms. Found 104 (106 requested) and removed 83 (59 requested) atoms. Cycle 7: After refmac, R = 0.2143 (Rfree = 0.000) for 5174 atoms. Found 87 (105 requested) and removed 59 (59 requested) atoms. Cycle 8: After refmac, R = 0.2034 (Rfree = 0.000) for 5198 atoms. Found 55 (102 requested) and removed 61 (59 requested) atoms. Cycle 9: After refmac, R = 0.1988 (Rfree = 0.000) for 5186 atoms. Found 59 (100 requested) and removed 65 (59 requested) atoms. Cycle 10: After refmac, R = 0.1966 (Rfree = 0.000) for 5177 atoms. Found 53 (98 requested) and removed 61 (59 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.34 2.28 NCS extension: 0 residues added, 5178 seeds are put forward Round 1: 551 peptides, 18 chains. Longest chain 72 peptides. Score 0.894 Round 2: 563 peptides, 17 chains. Longest chain 72 peptides. Score 0.903 Round 3: 576 peptides, 16 chains. Longest chain 72 peptides. Score 0.911 Round 4: 568 peptides, 25 chains. Longest chain 47 peptides. Score 0.882 Round 5: 571 peptides, 24 chains. Longest chain 58 peptides. Score 0.886 Taking the results from Round 3 Chains 18, Residues 560, Estimated correctness of the model 98.7 % 14 chains (549 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 43 A and 47 A Built loop between residues 194 A and 197 A Built loop between residues 72 C and 79 C Built loop between residues 29 B and 32 B Built loop between residues 111 B and 114 B Built loop between residues 215 B and 218 B 11 chains (576 residues) following loop building 8 chains (566 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5365 restraints for refining 5258 atoms. 763 conditional restraints added. Observations/parameters ratio is 1.64 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2216 (Rfree = 0.000) for 5258 atoms. Found 96 (96 requested) and removed 65 (60 requested) atoms. Cycle 12: After refmac, R = 0.2042 (Rfree = 0.000) for 5280 atoms. Found 69 (94 requested) and removed 60 (60 requested) atoms. Cycle 13: After refmac, R = 0.1980 (Rfree = 0.000) for 5280 atoms. Found 62 (92 requested) and removed 61 (60 requested) atoms. Cycle 14: After refmac, R = 0.1938 (Rfree = 0.000) for 5280 atoms. Found 49 (90 requested) and removed 62 (60 requested) atoms. Cycle 15: After refmac, R = 0.1924 (Rfree = 0.000) for 5264 atoms. Found 58 (87 requested) and removed 60 (60 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.34 2.28 NCS extension: 9 residues added (58 deleted due to clashes), 5278 seeds are put forward Round 1: 577 peptides, 13 chains. Longest chain 72 peptides. Score 0.919 Round 2: 582 peptides, 13 chains. Longest chain 72 peptides. Score 0.921 Round 3: 579 peptides, 16 chains. Longest chain 72 peptides. Score 0.912 Round 4: 582 peptides, 19 chains. Longest chain 72 peptides. Score 0.905 Round 5: 582 peptides, 24 chains. Longest chain 72 peptides. Score 0.892 Taking the results from Round 2 Chains 14, Residues 569, Estimated correctness of the model 98.9 % 11 chains (554 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 C and 79 C Built loop between residues 109 C and 113 C Built loop between residues 205 B and 208 B 10 chains (578 residues) following loop building 8 chains (565 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5367 restraints for refining 5258 atoms. 761 conditional restraints added. Observations/parameters ratio is 1.64 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2161 (Rfree = 0.000) for 5258 atoms. Found 84 (84 requested) and removed 71 (60 requested) atoms. Cycle 17: After refmac, R = 0.2014 (Rfree = 0.000) for 5264 atoms. Found 72 (82 requested) and removed 61 (60 requested) atoms. Cycle 18: After refmac, R = 0.1945 (Rfree = 0.000) for 5273 atoms. Found 63 (80 requested) and removed 61 (60 requested) atoms. Cycle 19: After refmac, R = 0.1920 (Rfree = 0.000) for 5271 atoms. Found 71 (77 requested) and removed 61 (60 requested) atoms. Cycle 20: After refmac, R = 0.1884 (Rfree = 0.000) for 5279 atoms. Found 74 (75 requested) and removed 60 (60 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.34 2.28 NCS extension: 9 residues added (2 deleted due to clashes), 5309 seeds are put forward Round 1: 580 peptides, 13 chains. Longest chain 72 peptides. Score 0.920 Round 2: 588 peptides, 11 chains. Longest chain 73 peptides. Score 0.928 Round 3: 586 peptides, 18 chains. Longest chain 66 peptides. Score 0.910 Round 4: 583 peptides, 20 chains. Longest chain 72 peptides. Score 0.903 Round 5: 574 peptides, 25 chains. Longest chain 62 peptides. Score 0.885 Taking the results from Round 2 Chains 12, Residues 577, Estimated correctness of the model 99.1 % 10 chains (568 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 79 A Built loop between residues 69 C and 79 C Built loop between residues 144 B and 155 B Built loop between residues 186 B and 189 B 8 chains (604 residues) following loop building 6 chains (595 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5382 restraints for refining 5403 atoms. 548 conditional restraints added. Observations/parameters ratio is 1.59 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2200 (Rfree = 0.000) for 5403 atoms. Found 74 (74 requested) and removed 71 (62 requested) atoms. Cycle 22: After refmac, R = 0.2011 (Rfree = 0.000) for 5398 atoms. Found 72 (72 requested) and removed 62 (62 requested) atoms. Cycle 23: After refmac, R = 0.1933 (Rfree = 0.000) for 5404 atoms. Found 59 (69 requested) and removed 64 (62 requested) atoms. Cycle 24: After refmac, R = 0.1905 (Rfree = 0.000) for 5397 atoms. Found 55 (67 requested) and removed 62 (62 requested) atoms. Failed to save intermediate PDB Cycle 25: After refmac, R = 0.1888 (Rfree = 0.000) for 5386 atoms. Found 62 (64 requested) and removed 61 (61 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.34 2.28 NCS extension: 0 residues added, 5393 seeds are put forward Round 1: 587 peptides, 14 chains. Longest chain 73 peptides. Score 0.920 Round 2: 592 peptides, 12 chains. Longest chain 92 peptides. Score 0.927 Round 3: 587 peptides, 13 chains. Longest chain 72 peptides. Score 0.923 Round 4: 585 peptides, 17 chains. Longest chain 73 peptides. Score 0.912 Round 5: 580 peptides, 23 chains. Longest chain 72 peptides. Score 0.893 Taking the results from Round 2 Chains 18, Residues 580, Estimated correctness of the model 99.1 % 12 chains (561 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 109 A and 112 A Built loop between residues 193 A and 197 A Built loop between residues 72 C and 79 C Built loop between residues 90 B and 99 B Built loop between residues 108 B and 113 B Built loop between residues 144 B and 155 B 9 chains (605 residues) following loop building 6 chains (594 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5447 restraints for refining 5422 atoms. 612 conditional restraints added. Observations/parameters ratio is 1.59 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2227 (Rfree = 0.000) for 5422 atoms. Found 62 (62 requested) and removed 82 (62 requested) atoms. Cycle 27: After refmac, R = 0.2023 (Rfree = 0.000) for 5397 atoms. Found 62 (62 requested) and removed 62 (62 requested) atoms. Cycle 28: After refmac, R = 0.1958 (Rfree = 0.000) for 5394 atoms. Found 62 (62 requested) and removed 62 (62 requested) atoms. Cycle 29: After refmac, R = 0.1916 (Rfree = 0.000) for 5391 atoms. Found 61 (61 requested) and removed 61 (61 requested) atoms. Cycle 30: After refmac, R = 0.1891 (Rfree = 0.000) for 5384 atoms. Found 61 (61 requested) and removed 61 (61 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.34 2.28 NCS extension: 3 residues added (1 deleted due to clashes), 5395 seeds are put forward Round 1: 589 peptides, 12 chains. Longest chain 72 peptides. Score 0.926 Round 2: 592 peptides, 15 chains. Longest chain 80 peptides. Score 0.920 Round 3: 588 peptides, 15 chains. Longest chain 73 peptides. Score 0.918 Round 4: 591 peptides, 15 chains. Longest chain 72 peptides. Score 0.919 Round 5: 576 peptides, 22 chains. Longest chain 72 peptides. Score 0.894 Taking the results from Round 1 Chains 14, Residues 577, Estimated correctness of the model 99.1 % 12 chains (575 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 79 A Built loop between residues 71 C and 79 C Built loop between residues 109 C and 112 C Built loop between residues 144 C and 154 C Built loop between residues 109 B and 112 B Built loop between residues 185 B and 188 B 7 chains (604 residues) following loop building 6 chains (603 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5378 restraints for refining 5437 atoms. 508 conditional restraints added. Observations/parameters ratio is 1.58 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2159 (Rfree = 0.000) for 5437 atoms. Found 62 (62 requested) and removed 64 (62 requested) atoms. Cycle 32: After refmac, R = 0.2002 (Rfree = 0.000) for 5431 atoms. Found 62 (62 requested) and removed 62 (62 requested) atoms. Cycle 33: After refmac, R = 0.1937 (Rfree = 0.000) for 5426 atoms. Found 46 (62 requested) and removed 62 (62 requested) atoms. Cycle 34: After refmac, R = 0.1917 (Rfree = 0.000) for 5408 atoms. Found 52 (62 requested) and removed 62 (62 requested) atoms. Cycle 35: After refmac, R = 0.1902 (Rfree = 0.000) for 5393 atoms. Found 48 (62 requested) and removed 63 (62 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.35 2.29 NCS extension: 3 residues added (0 deleted due to clashes), 5392 seeds are put forward Round 1: 588 peptides, 11 chains. Longest chain 72 peptides. Score 0.928 Round 2: 593 peptides, 15 chains. Longest chain 72 peptides. Score 0.920 Round 3: 587 peptides, 16 chains. Longest chain 72 peptides. Score 0.915 Round 4: 589 peptides, 16 chains. Longest chain 72 peptides. Score 0.916 Round 5: 571 peptides, 19 chains. Longest chain 62 peptides. Score 0.901 Taking the results from Round 1 Chains 11, Residues 577, Estimated correctness of the model 99.1 % 10 chains (565 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 83 A Built loop between residues 73 C and 79 C Built loop between residues 109 C and 112 C Built loop between residues 143 B and 154 B 7 chains (604 residues) following loop building 6 chains (592 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5575 restraints for refining 5427 atoms. 750 conditional restraints added. Observations/parameters ratio is 1.59 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2164 (Rfree = 0.000) for 5427 atoms. Found 62 (62 requested) and removed 68 (62 requested) atoms. Cycle 37: After refmac, R = 0.1995 (Rfree = 0.000) for 5417 atoms. Found 62 (62 requested) and removed 64 (62 requested) atoms. Cycle 38: After refmac, R = 0.1930 (Rfree = 0.000) for 5409 atoms. Found 57 (62 requested) and removed 62 (62 requested) atoms. Cycle 39: After refmac, R = 0.1899 (Rfree = 0.000) for 5403 atoms. Found 55 (62 requested) and removed 63 (62 requested) atoms. Cycle 40: After refmac, R = 0.1881 (Rfree = 0.000) for 5389 atoms. Found 59 (61 requested) and removed 61 (61 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.34 2.28 NCS extension: 4 residues added (1 deleted due to clashes), 5398 seeds are put forward Round 1: 582 peptides, 17 chains. Longest chain 71 peptides. Score 0.911 Round 2: 593 peptides, 14 chains. Longest chain 74 peptides. Score 0.923 Round 3: 595 peptides, 17 chains. Longest chain 70 peptides. Score 0.916 Round 4: 585 peptides, 20 chains. Longest chain 67 peptides. Score 0.904 Round 5: 588 peptides, 19 chains. Longest chain 58 peptides. Score 0.908 Taking the results from Round 2 Chains 17, Residues 579, Estimated correctness of the model 99.0 % 12 chains (556 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 73 A and 79 A Built loop between residues 109 A and 112 A Built loop between residues 111 C and 114 C Built loop between residues 193 C and 197 C 12 chains (590 residues) following loop building 8 chains (568 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5438 restraints for refining 5303 atoms. 769 conditional restraints added. Observations/parameters ratio is 1.62 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2103 (Rfree = 0.000) for 5303 atoms. Found 60 (60 requested) and removed 66 (60 requested) atoms. Cycle 42: After refmac, R = 0.1968 (Rfree = 0.000) for 5294 atoms. Found 60 (60 requested) and removed 60 (60 requested) atoms. Cycle 43: After refmac, R = 0.1903 (Rfree = 0.000) for 5293 atoms. Found 60 (60 requested) and removed 60 (60 requested) atoms. Cycle 44: After refmac, R = 0.1895 (Rfree = 0.000) for 5289 atoms. Found 60 (60 requested) and removed 60 (60 requested) atoms. Cycle 45: After refmac, R = 0.1883 (Rfree = 0.000) for 5287 atoms. Found 60 (60 requested) and removed 56 (60 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.34 2.28 NCS extension: 10 residues added (6 deleted due to clashes), 5308 seeds are put forward Round 1: 579 peptides, 16 chains. Longest chain 71 peptides. Score 0.912 Round 2: 587 peptides, 12 chains. Longest chain 72 peptides. Score 0.925 Round 3: 581 peptides, 19 chains. Longest chain 67 peptides. Score 0.905 Round 4: 586 peptides, 17 chains. Longest chain 71 peptides. Score 0.912 Round 5: 571 peptides, 22 chains. Longest chain 56 peptides. Score 0.892 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 15, Residues 575, Estimated correctness of the model 99.0 % 12 chains (571 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 72 A and 83 A Built loop between residues 144 A and 157 A Built loop between residues 193 A and 197 A Built loop between residues 72 C and 79 C Built loop between residues 109 C and 112 C Built loop between residues 144 C and 157 C Built loop between residues 72 B and 80 B Built loop between residues 129 B and 132 B Built loop between residues 142 B and 154 B 3 chains (636 residues) following loop building 3 chains (636 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 34461 reflections ( 99.68 % complete ) and 5141 restraints for refining 5073 atoms. Observations/parameters ratio is 1.70 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2626 (Rfree = 0.000) for 5073 atoms. Found 28 (58 requested) and removed 0 (58 requested) atoms. Cycle 47: After refmac, R = 0.2398 (Rfree = 0.000) for 5073 atoms. Found 18 (58 requested) and removed 0 (58 requested) atoms. Cycle 48: After refmac, R = 0.2301 (Rfree = 0.000) for 5073 atoms. Found 6 (58 requested) and removed 2 (58 requested) atoms. Cycle 49: After refmac, R = 0.2265 (Rfree = 0.000) for 5073 atoms. Found 8 (58 requested) and removed 0 (58 requested) atoms. Writing output files ... TimeTaking 106.52