null Mon 24 Dec 07:44:14 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 2iiu-2.3-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2iiu-2.3-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2iiu-2.3-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-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/2iiu-2.3-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-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 07:44:18 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/noncs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2iiu-2.3-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 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-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: 155 Cell parameters: 99.900 99.900 397.311 90.000 90.000 120.000 Input sequence file: 2iiu-2.3-parrot-noncs.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 6038 atoms. Observations/parameters ratio is 1.43 ------------------------------------------------------ Starting model: R = 0.3286 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2433 (Rfree = 0.000) for 6038 atoms. Found 113 (138 requested) and removed 114 (69 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.32 2.26 NCS extension: 0 residues added, 6037 seeds are put forward Round 1: 431 peptides, 69 chains. Longest chain 22 peptides. Score 0.500 Round 2: 483 peptides, 47 chains. Longest chain 65 peptides. Score 0.722 Round 3: 511 peptides, 35 chains. Longest chain 66 peptides. Score 0.808 Round 4: 523 peptides, 30 chains. Longest chain 72 peptides. Score 0.837 Round 5: 546 peptides, 24 chains. Longest chain 64 peptides. Score 0.873 Taking the results from Round 5 Chains 27, Residues 522, Estimated correctness of the model 97.5 % 13 chains (434 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 111 A and 114 A Built loop between residues 113 C and 116 C Built loop between residues 209 B and 215 B 22 chains (525 residues) following loop building 10 chains (443 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 6331 restraints for refining 5296 atoms. 2460 conditional restraints added. Observations/parameters ratio is 1.63 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2684 (Rfree = 0.000) for 5296 atoms. Found 121 (121 requested) and removed 75 (60 requested) atoms. Cycle 2: After refmac, R = 0.2428 (Rfree = 0.000) for 5262 atoms. Found 90 (120 requested) and removed 63 (61 requested) atoms. Cycle 3: After refmac, R = 0.2270 (Rfree = 0.000) for 5243 atoms. Found 71 (116 requested) and removed 60 (60 requested) atoms. Cycle 4: After refmac, R = 0.2160 (Rfree = 0.000) for 5232 atoms. Found 75 (113 requested) and removed 61 (60 requested) atoms. Cycle 5: After refmac, R = 0.2099 (Rfree = 0.000) for 5231 atoms. Found 69 (110 requested) and removed 63 (60 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.32 2.26 NCS extension: 47 residues added (22 deleted due to clashes), 5306 seeds are put forward Round 1: 538 peptides, 20 chains. Longest chain 72 peptides. Score 0.881 Round 2: 560 peptides, 17 chains. Longest chain 74 peptides. Score 0.901 Round 3: 555 peptides, 21 chains. Longest chain 88 peptides. Score 0.887 Round 4: 565 peptides, 18 chains. Longest chain 72 peptides. Score 0.901 Round 5: 558 peptides, 23 chains. Longest chain 70 peptides. Score 0.883 Taking the results from Round 4 Chains 20, Residues 547, Estimated correctness of the model 98.4 % 11 chains (486 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 73 A and 78 A Built loop between residues 191 A and 195 A Built loop between residues 107 B and 110 B 16 chains (554 residues) following loop building 8 chains (495 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5693 restraints for refining 5166 atoms. 1506 conditional restraints added. Observations/parameters ratio is 1.67 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2364 (Rfree = 0.000) for 5166 atoms. Found 106 (106 requested) and removed 73 (59 requested) atoms. Cycle 7: After refmac, R = 0.2153 (Rfree = 0.000) for 5185 atoms. Found 62 (105 requested) and removed 59 (59 requested) atoms. Cycle 8: After refmac, R = 0.2069 (Rfree = 0.000) for 5176 atoms. Found 64 (102 requested) and removed 59 (59 requested) atoms. Cycle 9: After refmac, R = 0.2024 (Rfree = 0.000) for 5172 atoms. Found 61 (100 requested) and removed 60 (59 requested) atoms. Cycle 10: After refmac, R = 0.2006 (Rfree = 0.000) for 5166 atoms. Found 52 (97 requested) and removed 59 (59 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.33 2.27 NCS extension: 14 residues added (12 deleted due to clashes), 5191 seeds are put forward Round 1: 564 peptides, 17 chains. Longest chain 72 peptides. Score 0.903 Round 2: 568 peptides, 16 chains. Longest chain 72 peptides. Score 0.908 Round 3: 571 peptides, 21 chains. Longest chain 59 peptides. Score 0.895 Round 4: 575 peptides, 20 chains. Longest chain 58 peptides. Score 0.900 Round 5: 559 peptides, 30 chains. Longest chain 59 peptides. Score 0.861 Taking the results from Round 2 Chains 20, Residues 552, Estimated correctness of the model 98.6 % 13 chains (527 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 81 A Built loop between residues 114 A and 117 A Built loop between residues 194 A and 199 A Built loop between residues 72 C and 78 C Built loop between residues 41 B and 49 B 13 chains (574 residues) following loop building 8 chains (553 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5581 restraints for refining 5268 atoms. 1037 conditional restraints added. Observations/parameters ratio is 1.64 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2240 (Rfree = 0.000) for 5268 atoms. Found 97 (97 requested) and removed 70 (60 requested) atoms. Cycle 12: After refmac, R = 0.2074 (Rfree = 0.000) for 5289 atoms. Found 71 (94 requested) and removed 60 (60 requested) atoms. Cycle 13: After refmac, R = 0.1999 (Rfree = 0.000) for 5296 atoms. Found 59 (92 requested) and removed 60 (60 requested) atoms. Cycle 14: After refmac, R = 0.1968 (Rfree = 0.000) for 5289 atoms. Found 60 (90 requested) and removed 62 (60 requested) atoms. Cycle 15: After refmac, R = 0.1951 (Rfree = 0.000) for 5284 atoms. Found 54 (87 requested) and removed 60 (60 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.33 2.27 NCS extension: 0 residues added, 5291 seeds are put forward Round 1: 570 peptides, 17 chains. Longest chain 72 peptides. Score 0.906 Round 2: 579 peptides, 11 chains. Longest chain 72 peptides. Score 0.925 Round 3: 572 peptides, 19 chains. Longest chain 126 peptides. Score 0.901 Round 4: 568 peptides, 21 chains. Longest chain 66 peptides. Score 0.893 Round 5: 566 peptides, 25 chains. Longest chain 72 peptides. Score 0.881 Taking the results from Round 2 Chains 11, Residues 568, Estimated correctness of the model 99.0 % 10 chains (565 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 77 A Built loop between residues 72 C and 79 C Built loop between residues 110 B and 113 B 8 chains (580 residues) following loop building 7 chains (577 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5387 restraints for refining 5280 atoms. 714 conditional restraints added. Observations/parameters ratio is 1.63 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2190 (Rfree = 0.000) for 5280 atoms. Found 85 (85 requested) and removed 65 (60 requested) atoms. Cycle 17: After refmac, R = 0.2044 (Rfree = 0.000) for 5293 atoms. Found 70 (82 requested) and removed 61 (60 requested) atoms. Cycle 18: After refmac, R = 0.1982 (Rfree = 0.000) for 5297 atoms. Found 64 (80 requested) and removed 62 (60 requested) atoms. Cycle 19: After refmac, R = 0.1945 (Rfree = 0.000) for 5293 atoms. Found 77 (77 requested) and removed 61 (60 requested) atoms. Cycle 20: After refmac, R = 0.1915 (Rfree = 0.000) for 5303 atoms. Found 67 (75 requested) and removed 60 (60 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.33 2.27 NCS extension: 2 residues added (60 deleted due to clashes), 5319 seeds are put forward Round 1: 578 peptides, 15 chains. Longest chain 72 peptides. Score 0.914 Round 2: 584 peptides, 13 chains. Longest chain 72 peptides. Score 0.922 Round 3: 580 peptides, 18 chains. Longest chain 72 peptides. Score 0.907 Round 4: 584 peptides, 20 chains. Longest chain 64 peptides. Score 0.903 Round 5: 579 peptides, 22 chains. Longest chain 72 peptides. Score 0.896 Taking the results from Round 2 Chains 15, Residues 571, Estimated correctness of the model 99.0 % 12 chains (564 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 73 A and 79 A Built loop between residues 110 A and 113 A Built loop between residues 72 C and 79 C Built loop between residues 194 C and 199 C Built loop between residues 71 B and 80 B Built loop between residues 109 B and 114 B 7 chains (596 residues) following loop building 6 chains (593 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5312 restraints for refining 5364 atoms. 511 conditional restraints added. Observations/parameters ratio is 1.61 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2192 (Rfree = 0.000) for 5364 atoms. Found 74 (74 requested) and removed 65 (61 requested) atoms. Cycle 22: After refmac, R = 0.2023 (Rfree = 0.000) for 5366 atoms. Found 68 (71 requested) and removed 63 (61 requested) atoms. Cycle 23: After refmac, R = 0.1953 (Rfree = 0.000) for 5371 atoms. Found 69 (69 requested) and removed 62 (61 requested) atoms. Cycle 24: After refmac, R = 0.1920 (Rfree = 0.000) for 5376 atoms. Found 61 (66 requested) and removed 61 (61 requested) atoms. Cycle 25: After refmac, R = 0.1908 (Rfree = 0.000) for 5372 atoms. Found 63 (64 requested) and removed 61 (61 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.34 2.28 NCS extension: 8 residues added (60 deleted due to clashes), 5389 seeds are put forward Round 1: 580 peptides, 14 chains. Longest chain 72 peptides. Score 0.918 Round 2: 588 peptides, 13 chains. Longest chain 73 peptides. Score 0.923 Round 3: 581 peptides, 24 chains. Longest chain 73 peptides. Score 0.891 Round 4: 587 peptides, 17 chains. Longest chain 73 peptides. Score 0.913 Round 5: 581 peptides, 22 chains. Longest chain 66 peptides. Score 0.897 Taking the results from Round 2 Chains 14, Residues 575, Estimated correctness of the model 99.0 % 11 chains (563 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 74 A and 79 A Built loop between residues 111 A and 114 A Built loop between residues 145 C and 156 C Built loop between residues 194 C and 197 C Built loop between residues 73 B and 79 B 9 chains (598 residues) following loop building 6 chains (586 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5442 restraints for refining 5387 atoms. 667 conditional restraints added. Observations/parameters ratio is 1.60 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2210 (Rfree = 0.000) for 5387 atoms. Found 61 (61 requested) and removed 71 (61 requested) atoms. Cycle 27: After refmac, R = 0.2039 (Rfree = 0.000) for 5372 atoms. Found 61 (61 requested) and removed 62 (61 requested) atoms. Cycle 28: After refmac, R = 0.1970 (Rfree = 0.000) for 5368 atoms. Found 61 (61 requested) and removed 63 (61 requested) atoms. Cycle 29: After refmac, R = 0.1936 (Rfree = 0.000) for 5360 atoms. Found 58 (61 requested) and removed 64 (61 requested) atoms. Cycle 30: After refmac, R = 0.1929 (Rfree = 0.000) for 5353 atoms. Found 54 (61 requested) and removed 62 (61 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.34 2.28 NCS extension: 32 residues added (179 deleted due to clashes), 5390 seeds are put forward Round 1: 584 peptides, 14 chains. Longest chain 73 peptides. Score 0.919 Round 2: 588 peptides, 16 chains. Longest chain 74 peptides. Score 0.916 Round 3: 582 peptides, 20 chains. Longest chain 62 peptides. Score 0.903 Round 4: 576 peptides, 21 chains. Longest chain 74 peptides. Score 0.897 Round 5: 573 peptides, 21 chains. Longest chain 62 peptides. Score 0.896 Taking the results from Round 1 Chains 17, Residues 570, Estimated correctness of the model 98.9 % 12 chains (554 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 145 A and 156 A Built loop between residues 185 A and 191 A Built loop between residues 73 C and 80 C Built loop between residues 109 C and 113 C Built loop between residues 42 B and 46 B Built loop between residues 73 B and 80 B 8 chains (598 residues) following loop building 6 chains (587 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5439 restraints for refining 5395 atoms. 660 conditional restraints added. Observations/parameters ratio is 1.60 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2160 (Rfree = 0.000) for 5395 atoms. Found 62 (62 requested) and removed 70 (62 requested) atoms. Cycle 32: After refmac, R = 0.2001 (Rfree = 0.000) for 5379 atoms. Found 61 (61 requested) and removed 62 (61 requested) atoms. Cycle 33: After refmac, R = 0.1936 (Rfree = 0.000) for 5375 atoms. Found 61 (61 requested) and removed 61 (61 requested) atoms. Cycle 34: After refmac, R = 0.1909 (Rfree = 0.000) for 5374 atoms. Found 53 (61 requested) and removed 62 (61 requested) atoms. Cycle 35: After refmac, R = 0.1899 (Rfree = 0.000) for 5365 atoms. Found 58 (61 requested) and removed 62 (61 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.34 2.28 NCS extension: 7 residues added (0 deleted due to clashes), 5376 seeds are put forward Round 1: 586 peptides, 16 chains. Longest chain 66 peptides. Score 0.915 Round 2: 584 peptides, 15 chains. Longest chain 73 peptides. Score 0.917 Round 3: 584 peptides, 18 chains. Longest chain 72 peptides. Score 0.909 Round 4: 572 peptides, 19 chains. Longest chain 72 peptides. Score 0.901 Round 5: 573 peptides, 27 chains. Longest chain 63 peptides. Score 0.878 Taking the results from Round 2 Chains 19, Residues 569, Estimated correctness of the model 98.8 % 12 chains (549 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 110 A and 113 A Built loop between residues 70 C and 79 C Built loop between residues 110 C and 113 C Built loop between residues 42 B and 47 B Built loop between residues 146 B and 155 B 12 chains (589 residues) following loop building 7 chains (573 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5505 restraints for refining 5332 atoms. 822 conditional restraints added. Observations/parameters ratio is 1.62 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2173 (Rfree = 0.000) for 5332 atoms. Found 61 (61 requested) and removed 66 (61 requested) atoms. Cycle 37: After refmac, R = 0.2014 (Rfree = 0.000) for 5321 atoms. Found 61 (61 requested) and removed 62 (61 requested) atoms. Cycle 38: After refmac, R = 0.1952 (Rfree = 0.000) for 5319 atoms. Found 61 (61 requested) and removed 62 (61 requested) atoms. Cycle 39: After refmac, R = 0.1917 (Rfree = 0.000) for 5316 atoms. Found 61 (61 requested) and removed 61 (61 requested) atoms. Cycle 40: After refmac, R = 0.1891 (Rfree = 0.000) for 5313 atoms. Found 53 (61 requested) and removed 65 (61 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.34 2.28 NCS extension: 38 residues added (130 deleted due to clashes), 5348 seeds are put forward Round 1: 584 peptides, 15 chains. Longest chain 73 peptides. Score 0.917 Round 2: 588 peptides, 15 chains. Longest chain 73 peptides. Score 0.918 Round 3: 586 peptides, 14 chains. Longest chain 72 peptides. Score 0.920 Round 4: 584 peptides, 17 chains. Longest chain 73 peptides. Score 0.912 Round 5: 568 peptides, 30 chains. Longest chain 57 peptides. Score 0.866 Taking the results from Round 3 Chains 16, Residues 572, Estimated correctness of the model 98.9 % 12 chains (551 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 40 A and 48 A Built loop between residues 72 A and 80 A Built loop between residues 73 C and 79 C Built loop between residues 109 B and 112 B Built loop between residues 148 B and 155 B Built loop between residues 186 B and 189 B 8 chains (598 residues) following loop building 6 chains (580 residues) in sequence following loop building ------------------------------------------------------ 34461 reflections ( 99.68 % complete ) and 5457 restraints for refining 5354 atoms. 710 conditional restraints added. Observations/parameters ratio is 1.61 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2181 (Rfree = 0.000) for 5354 atoms. Found 61 (61 requested) and removed 69 (61 requested) atoms. Cycle 42: After refmac, R = 0.2021 (Rfree = 0.000) for 5341 atoms. Found 61 (61 requested) and removed 61 (61 requested) atoms. Cycle 43: After refmac, R = 0.1947 (Rfree = 0.000) for 5341 atoms. Found 61 (61 requested) and removed 61 (61 requested) atoms. Cycle 44: After refmac, R = 0.1916 (Rfree = 0.000) for 5339 atoms. Found 47 (61 requested) and removed 62 (61 requested) atoms. Cycle 45: After refmac, R = 0.1921 (Rfree = 0.000) for 5323 atoms. Found 61 (61 requested) and removed 62 (61 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.34 2.28 NCS extension: 12 residues added (54 deleted due to clashes), 5349 seeds are put forward Round 1: 584 peptides, 14 chains. Longest chain 73 peptides. Score 0.919 Round 2: 583 peptides, 14 chains. Longest chain 71 peptides. Score 0.919 Round 3: 576 peptides, 23 chains. Longest chain 66 peptides. Score 0.892 Round 4: 583 peptides, 18 chains. Longest chain 72 peptides. Score 0.908 Round 5: 566 peptides, 26 chains. Longest chain 60 peptides. Score 0.877 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 16, Residues 569, Estimated correctness of the model 98.9 % 10 chains (525 residues) have been docked in sequence Sequence coverage is 92 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 73 A and 79 A Built loop between residues 110 A and 113 A Built loop between residues 143 A and 157 A Built loop between residues 144 B and 155 B 12 chains (599 residues) following loop building 6 chains (555 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 34461 reflections ( 99.68 % complete ) and 4656 restraints for refining 4604 atoms. Observations/parameters ratio is 1.87 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2752 (Rfree = 0.000) for 4604 atoms. Found 26 (52 requested) and removed 0 (52 requested) atoms. Cycle 47: After refmac, R = 0.2578 (Rfree = 0.000) for 4604 atoms. Found 24 (53 requested) and removed 2 (53 requested) atoms. Cycle 48: After refmac, R = 0.2499 (Rfree = 0.000) for 4604 atoms. Found 15 (53 requested) and removed 1 (53 requested) atoms. Cycle 49: After refmac, R = 0.2468 (Rfree = 0.000) for 4604 atoms. Found 8 (53 requested) and removed 6 (53 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 09:12:10 GMT 2018 Job finished. TimeTaking 87.93 Used memory is bytes: 8630688