Sun 23 Dec 22:22:42 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 1vr0-2.5-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/1vr0-2.5-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/1vr0-2.5-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1vr0-2.5-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/1vr0-2.5-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1vr0-2.5-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 22:22:56 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/1vr0-2.5-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1vr0-2.5-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 613 and 0 Target number of residues in the AU: 613 Target solvent content: 0.5471 Checking the provided sequence file Detected sequence length: 247 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 3 Adjusted target number of residues: 741 Adjusted target solvent content: 0.45 Input MTZ file: 1vr0-2.5-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: 20 Cell parameters: 46.686 69.193 453.518 90.000 90.000 90.000 Input sequence file: 1vr0-2.5-parrot-hancs.fasta_lf Building free atoms model in initial map for 5928 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 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: 226.759 2.490 Wilson plot Bfac: 34.68 22751 reflections ( 85.61 % complete ) and 0 restraints for refining 6552 atoms. Observations/parameters ratio is 0.87 ------------------------------------------------------ Starting model: R = 0.3156 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2357 (Rfree = 0.000) for 6552 atoms. Found 69 (120 requested) and removed 92 (60 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.45 2.62 NCS extension: 0 residues added, 6529 seeds are put forward Round 1: 422 peptides, 69 chains. Longest chain 18 peptides. Score 0.494 Round 2: 490 peptides, 53 chains. Longest chain 24 peptides. Score 0.710 Round 3: 519 peptides, 42 chains. Longest chain 40 peptides. Score 0.796 Round 4: 551 peptides, 40 chains. Longest chain 48 peptides. Score 0.830 Round 5: 556 peptides, 37 chains. Longest chain 66 peptides. Score 0.844 Taking the results from Round 5 Chains 40, Residues 519, Estimated correctness of the model 95.2 % 10 chains (302 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 121 A and 131 A Built loop between residues 170 A and 176 A 36 chains (528 residues) following loop building 8 chains (316 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 8475 restraints for refining 5554 atoms. 5197 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2761 (Rfree = 0.000) for 5554 atoms. Found 86 (101 requested) and removed 68 (50 requested) atoms. Cycle 2: After refmac, R = 0.2528 (Rfree = 0.000) for 5514 atoms. Found 59 (100 requested) and removed 65 (51 requested) atoms. Cycle 3: After refmac, R = 0.2405 (Rfree = 0.000) for 5472 atoms. Found 54 (97 requested) and removed 53 (50 requested) atoms. Cycle 4: After refmac, R = 0.2310 (Rfree = 0.000) for 5449 atoms. Found 39 (94 requested) and removed 50 (50 requested) atoms. Cycle 5: After refmac, R = 0.2239 (Rfree = 0.000) for 5423 atoms. Found 30 (91 requested) and removed 49 (49 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.43 2.60 NCS extension: 562 residues added (686 deleted due to clashes), 5995 seeds are put forward Round 1: 567 peptides, 25 chains. Longest chain 82 peptides. Score 0.890 Round 2: 579 peptides, 31 chains. Longest chain 79 peptides. Score 0.878 Round 3: 590 peptides, 24 chains. Longest chain 139 peptides. Score 0.903 Round 4: 578 peptides, 27 chains. Longest chain 65 peptides. Score 0.890 Round 5: 568 peptides, 32 chains. Longest chain 145 peptides. Score 0.869 Taking the results from Round 3 Chains 30, Residues 566, Estimated correctness of the model 98.0 % 12 chains (420 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 52 A and 55 A Built loop between residues 102 A and 109 A Built loop between residues 25 C and 33 C Built loop between residues 55 C and 58 C Built loop between residues 75 C and 78 C Built loop between residues 116 C and 127 C Built loop between residues 176 C and 186 C 20 chains (590 residues) following loop building 5 chains (458 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 7025 restraints for refining 5557 atoms. 2914 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2338 (Rfree = 0.000) for 5557 atoms. Found 74 (91 requested) and removed 57 (50 requested) atoms. Cycle 7: After refmac, R = 0.2102 (Rfree = 0.000) for 5552 atoms. Found 48 (90 requested) and removed 54 (51 requested) atoms. Cycle 8: After refmac, R = 0.2009 (Rfree = 0.000) for 5536 atoms. Found 39 (87 requested) and removed 51 (50 requested) atoms. Cycle 9: After refmac, R = 0.1956 (Rfree = 0.000) for 5518 atoms. Found 39 (85 requested) and removed 51 (50 requested) atoms. Cycle 10: After refmac, R = 0.1906 (Rfree = 0.000) for 5500 atoms. Found 50 (82 requested) and removed 51 (50 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.43 2.60 NCS extension: 310 residues added (782 deleted due to clashes), 5825 seeds are put forward Round 1: 596 peptides, 23 chains. Longest chain 163 peptides. Score 0.909 Round 2: 603 peptides, 21 chains. Longest chain 114 peptides. Score 0.916 Round 3: 600 peptides, 24 chains. Longest chain 137 peptides. Score 0.908 Round 4: 593 peptides, 23 chains. Longest chain 94 peptides. Score 0.907 Round 5: 598 peptides, 27 chains. Longest chain 74 peptides. Score 0.899 Taking the results from Round 2 Chains 22, Residues 582, Estimated correctness of the model 98.5 % 9 chains (487 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 145 A and 150 A Built loop between residues 179 A and 186 A Built loop between residues 101 B and 106 B 19 chains (595 residues) following loop building 6 chains (501 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6748 restraints for refining 5558 atoms. 2472 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2181 (Rfree = 0.000) for 5558 atoms. Found 81 (81 requested) and removed 59 (50 requested) atoms. Cycle 12: After refmac, R = 0.1975 (Rfree = 0.000) for 5570 atoms. Found 66 (80 requested) and removed 55 (51 requested) atoms. Cycle 13: After refmac, R = 0.1861 (Rfree = 0.000) for 5574 atoms. Found 53 (78 requested) and removed 52 (51 requested) atoms. Cycle 14: After refmac, R = 0.1806 (Rfree = 0.000) for 5570 atoms. Found 57 (75 requested) and removed 52 (51 requested) atoms. Cycle 15: After refmac, R = 0.1759 (Rfree = 0.000) for 5571 atoms. Found 48 (73 requested) and removed 52 (51 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.43 2.60 NCS extension: 456 residues added (679 deleted due to clashes), 6034 seeds are put forward Round 1: 596 peptides, 22 chains. Longest chain 100 peptides. Score 0.911 Round 2: 607 peptides, 20 chains. Longest chain 100 peptides. Score 0.920 Round 3: 606 peptides, 24 chains. Longest chain 104 peptides. Score 0.910 Round 4: 603 peptides, 25 chains. Longest chain 67 peptides. Score 0.906 Round 5: 604 peptides, 21 chains. Longest chain 138 peptides. Score 0.917 Taking the results from Round 2 Chains 21, Residues 587, Estimated correctness of the model 98.6 % 12 chains (536 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 67 A and 70 A Built loop between residues 99 A and 106 A Built loop between residues 204 A and 213 A Built loop between residues 101 B and 104 B Built loop between residues 124 B and 128 B Built loop between residues 146 B and 151 B Built loop between residues 179 B and 185 B Built loop between residues 204 B and 212 B 10 chains (614 residues) following loop building 4 chains (573 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6019 restraints for refining 5558 atoms. 1344 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2069 (Rfree = 0.000) for 5558 atoms. Found 71 (71 requested) and removed 57 (50 requested) atoms. Cycle 17: After refmac, R = 0.1869 (Rfree = 0.000) for 5561 atoms. Found 69 (69 requested) and removed 54 (51 requested) atoms. Cycle 18: After refmac, R = 0.1783 (Rfree = 0.000) for 5574 atoms. Found 67 (67 requested) and removed 53 (51 requested) atoms. Cycle 19: After refmac, R = 0.1723 (Rfree = 0.000) for 5586 atoms. Found 56 (65 requested) and removed 55 (51 requested) atoms. Cycle 20: After refmac, R = 0.1704 (Rfree = 0.000) for 5585 atoms. Found 58 (63 requested) and removed 51 (51 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.44 2.61 NCS extension: 385 residues added (307 deleted due to clashes), 5989 seeds are put forward Round 1: 603 peptides, 23 chains. Longest chain 100 peptides. Score 0.911 Round 2: 610 peptides, 20 chains. Longest chain 100 peptides. Score 0.921 Round 3: 595 peptides, 23 chains. Longest chain 106 peptides. Score 0.908 Round 4: 600 peptides, 23 chains. Longest chain 80 peptides. Score 0.910 Round 5: 611 peptides, 23 chains. Longest chain 105 peptides. Score 0.914 Taking the results from Round 2 Chains 21, Residues 590, Estimated correctness of the model 98.6 % 12 chains (543 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 101 A and 107 A Built loop between residues 146 A and 153 A Built loop between residues 179 A and 187 A Built loop between residues 211 A and 220 A Built loop between residues 170 C and 173 C Built loop between residues 93 B and 104 B Built loop between residues 202 B and 204 B 11 chains (617 residues) following loop building 5 chains (582 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6114 restraints for refining 5558 atoms. 1420 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2025 (Rfree = 0.000) for 5558 atoms. Found 61 (61 requested) and removed 63 (50 requested) atoms. Failed to save intermediate PDB Cycle 22: After refmac, R = 0.1848 (Rfree = 0.000) for 5552 atoms. Found 59 (59 requested) and removed 52 (50 requested) atoms. Cycle 23: After refmac, R = 0.1780 (Rfree = 0.000) for 5558 atoms. Found 57 (57 requested) and removed 51 (50 requested) atoms. Cycle 24: After refmac, R = 0.1758 (Rfree = 0.000) for 5557 atoms. Found 55 (55 requested) and removed 52 (51 requested) atoms. Cycle 25: After refmac, R = 0.1742 (Rfree = 0.000) for 5558 atoms. Found 53 (53 requested) and removed 57 (50 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.44 2.61 NCS extension: 217 residues added (316 deleted due to clashes), 5780 seeds are put forward Round 1: 603 peptides, 21 chains. Longest chain 100 peptides. Score 0.916 Round 2: 615 peptides, 14 chains. Longest chain 200 peptides. Score 0.937 Round 3: 615 peptides, 23 chains. Longest chain 99 peptides. Score 0.916 Round 4: 612 peptides, 23 chains. Longest chain 108 peptides. Score 0.915 Round 5: 605 peptides, 28 chains. Longest chain 99 peptides. Score 0.899 Taking the results from Round 2 Chains 15, Residues 601, Estimated correctness of the model 99.1 % 8 chains (548 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 170 C and 177 C Built loop between residues 211 B and 214 B 13 chains (609 residues) following loop building 6 chains (556 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6272 restraints for refining 5558 atoms. 1727 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1959 (Rfree = 0.000) for 5558 atoms. Found 50 (50 requested) and removed 58 (50 requested) atoms. Cycle 27: After refmac, R = 0.1814 (Rfree = 0.000) for 5545 atoms. Found 50 (50 requested) and removed 50 (50 requested) atoms. Cycle 28: After refmac, R = 0.1770 (Rfree = 0.000) for 5543 atoms. Found 42 (50 requested) and removed 55 (50 requested) atoms. Cycle 29: After refmac, R = 0.1753 (Rfree = 0.000) for 5528 atoms. Found 50 (50 requested) and removed 52 (50 requested) atoms. Cycle 30: After refmac, R = 0.1745 (Rfree = 0.000) for 5524 atoms. Found 50 (50 requested) and removed 51 (50 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.44 2.61 NCS extension: 165 residues added (742 deleted due to clashes), 5690 seeds are put forward Round 1: 599 peptides, 23 chains. Longest chain 98 peptides. Score 0.910 Round 2: 616 peptides, 18 chains. Longest chain 140 peptides. Score 0.928 Round 3: 594 peptides, 28 chains. Longest chain 66 peptides. Score 0.894 Round 4: 610 peptides, 23 chains. Longest chain 126 peptides. Score 0.914 Round 5: 613 peptides, 22 chains. Longest chain 78 peptides. Score 0.918 Taking the results from Round 2 Chains 19, Residues 598, Estimated correctness of the model 98.8 % 11 chains (542 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 39 A and 42 A Built loop between residues 105 A and 108 A Built loop between residues 169 C and 177 C Built loop between residues 127 B and 130 B Built loop between residues 145 B and 151 B Built loop between residues 180 B and 185 B 11 chains (616 residues) following loop building 5 chains (564 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6172 restraints for refining 5558 atoms. 1559 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1990 (Rfree = 0.000) for 5558 atoms. Found 50 (50 requested) and removed 61 (50 requested) atoms. Cycle 32: After refmac, R = 0.1820 (Rfree = 0.000) for 5543 atoms. Found 50 (50 requested) and removed 56 (50 requested) atoms. Cycle 33: After refmac, R = 0.1762 (Rfree = 0.000) for 5534 atoms. Found 49 (50 requested) and removed 50 (50 requested) atoms. Failed to save intermediate PDB Cycle 34: After refmac, R = 0.1747 (Rfree = 0.000) for 5530 atoms. Found 46 (50 requested) and removed 51 (50 requested) atoms. Cycle 35: After refmac, R = 0.1727 (Rfree = 0.000) for 5522 atoms. Found 50 (50 requested) and removed 52 (50 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.45 2.62 NCS extension: 211 residues added (268 deleted due to clashes), 5739 seeds are put forward Round 1: 614 peptides, 23 chains. Longest chain 111 peptides. Score 0.916 Round 2: 621 peptides, 19 chains. Longest chain 107 peptides. Score 0.927 Round 3: 616 peptides, 21 chains. Longest chain 111 peptides. Score 0.921 Round 4: 620 peptides, 20 chains. Longest chain 101 peptides. Score 0.925 Round 5: 614 peptides, 24 chains. Longest chain 60 peptides. Score 0.913 Taking the results from Round 2 Chains 21, Residues 602, Estimated correctness of the model 98.8 % 11 chains (516 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 101 A and 106 A Built loop between residues 211 A and 214 A Built loop between residues 38 B and 40 B Built loop between residues 174 B and 177 B 17 chains (611 residues) following loop building 7 chains (525 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6436 restraints for refining 5558 atoms. 1993 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1971 (Rfree = 0.000) for 5558 atoms. Found 50 (50 requested) and removed 73 (50 requested) atoms. Cycle 37: After refmac, R = 0.1821 (Rfree = 0.000) for 5529 atoms. Found 50 (50 requested) and removed 51 (50 requested) atoms. Cycle 38: After refmac, R = 0.1770 (Rfree = 0.000) for 5526 atoms. Found 50 (50 requested) and removed 53 (50 requested) atoms. Cycle 39: After refmac, R = 0.1734 (Rfree = 0.000) for 5521 atoms. Found 44 (50 requested) and removed 50 (50 requested) atoms. Cycle 40: After refmac, R = 0.1738 (Rfree = 0.000) for 5515 atoms. Found 47 (50 requested) and removed 56 (50 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.44 2.61 NCS extension: 246 residues added (968 deleted due to clashes), 5758 seeds are put forward Round 1: 599 peptides, 25 chains. Longest chain 80 peptides. Score 0.905 Round 2: 610 peptides, 17 chains. Longest chain 141 peptides. Score 0.928 Round 3: 604 peptides, 23 chains. Longest chain 111 peptides. Score 0.912 Round 4: 602 peptides, 20 chains. Longest chain 91 peptides. Score 0.918 Round 5: 605 peptides, 25 chains. Longest chain 92 peptides. Score 0.907 Taking the results from Round 2 Chains 17, Residues 593, Estimated correctness of the model 98.8 % 9 chains (519 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 64 A and 68 A Built loop between residues 115 A and 118 A Built loop between residues 147 A and 150 A Built loop between residues 133 C and 136 C Built loop between residues 169 C and 172 C Built loop between residues 101 B and 107 B 11 chains (609 residues) following loop building 3 chains (535 residues) in sequence following loop building ------------------------------------------------------ 22751 reflections ( 85.61 % complete ) and 6439 restraints for refining 5558 atoms. 1949 conditional restraints added. Observations/parameters ratio is 1.02 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1942 (Rfree = 0.000) for 5558 atoms. Found 50 (50 requested) and removed 62 (50 requested) atoms. Cycle 42: After refmac, R = 0.1811 (Rfree = 0.000) for 5546 atoms. Found 50 (50 requested) and removed 52 (50 requested) atoms. Cycle 43: After refmac, R = 0.1763 (Rfree = 0.000) for 5541 atoms. Found 46 (50 requested) and removed 53 (50 requested) atoms. Cycle 44: After refmac, R = 0.1751 (Rfree = 0.000) for 5534 atoms. Found 50 (50 requested) and removed 51 (50 requested) atoms. Cycle 45: After refmac, R = 0.1728 (Rfree = 0.000) for 5531 atoms. Found 50 (50 requested) and removed 52 (50 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.45 2.62 NCS extension: 335 residues added (588 deleted due to clashes), 5868 seeds are put forward Round 1: 610 peptides, 20 chains. Longest chain 163 peptides. Score 0.921 Round 2: 614 peptides, 13 chains. Longest chain 153 peptides. Score 0.939 Round 3: 607 peptides, 25 chains. Longest chain 163 peptides. Score 0.908 Round 4: 601 peptides, 22 chains. Longest chain 107 peptides. Score 0.913 Round 5: 610 peptides, 20 chains. Longest chain 65 peptides. Score 0.921 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 18, Residues 601, Estimated correctness of the model 99.1 % 9 chains (562 residues) have been docked in sequence Sequence coverage is 93 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 28 A and 32 A Built loop between residues 183 A and 188 A Built loop between residues 203 A and 207 A Built loop between residues 170 C and 173 C Built loop between residues 105 B and 112 B 10 chains (613 residues) following loop building 4 chains (580 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 22751 reflections ( 85.61 % complete ) and 4686 restraints for refining 4646 atoms. Observations/parameters ratio is 1.22 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2768 (Rfree = 0.000) for 4646 atoms. Found 36 (42 requested) and removed 0 (42 requested) atoms. Cycle 47: After refmac, R = 0.2594 (Rfree = 0.000) for 4646 atoms. Found 9 (42 requested) and removed 2 (42 requested) atoms. Cycle 48: After refmac, R = 0.2544 (Rfree = 0.000) for 4646 atoms. Found 5 (43 requested) and removed 1 (43 requested) atoms. Cycle 49: After refmac, R = 0.2518 (Rfree = 0.000) for 4646 atoms. Found 3 (43 requested) and removed 1 (43 requested) atoms. TimeTaking 178.15