null Mon 24 Dec 07:45:36 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 2g0t-2.7-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2g0t-2.7-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2g0t-2.7-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2g0t-2.7-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/2g0t-2.7-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2g0t-2.7-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 07:45:41 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/2g0t-2.7-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2g0t-2.7-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 1027 and 0 Target number of residues in the AU: 1027 Target solvent content: 0.5256 Checking the provided sequence file Detected sequence length: 350 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 700 Adjusted target solvent content: 0.68 Input MTZ file: 2g0t-2.7-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: 213 Cell parameters: 191.568 191.568 191.568 90.000 90.000 90.000 Input sequence file: 2g0t-2.7-parrot-noncs.fasta_lf Building free atoms model in initial map for 5600 target number of atoms Had to go as low as 0.95 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: 29.560 2.670 Wilson plot Bfac: 29.18 34502 reflections ( 99.54 % complete ) and 0 restraints for refining 6241 atoms. Observations/parameters ratio is 1.38 ------------------------------------------------------ Starting model: R = 0.3658 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3301 (Rfree = 0.000) for 6241 atoms. Found 93 (93 requested) and removed 50 (46 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.56 1.99 NCS extension: 0 residues added, 6284 seeds are put forward Round 1: 464 peptides, 74 chains. Longest chain 26 peptides. Score 0.426 Round 2: 518 peptides, 70 chains. Longest chain 26 peptides. Score 0.517 Round 3: 537 peptides, 60 chains. Longest chain 36 peptides. Score 0.590 Round 4: 536 peptides, 63 chains. Longest chain 35 peptides. Score 0.574 Round 5: 537 peptides, 56 chains. Longest chain 37 peptides. Score 0.609 Taking the results from Round 5 Chains 64, Residues 481, Estimated correctness of the model 68.1 % 9 chains (105 residues) have been docked in sequence ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 9969 restraints for refining 5522 atoms. 7740 conditional restraints added. Observations/parameters ratio is 1.56 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3311 (Rfree = 0.000) for 5522 atoms. Found 83 (83 requested) and removed 69 (41 requested) atoms. Cycle 2: After refmac, R = 0.3109 (Rfree = 0.000) for 5504 atoms. Found 83 (83 requested) and removed 50 (41 requested) atoms. Cycle 3: After refmac, R = 0.2977 (Rfree = 0.000) for 5517 atoms. Found 70 (83 requested) and removed 43 (41 requested) atoms. Cycle 4: After refmac, R = 0.2832 (Rfree = 0.000) for 5532 atoms. Found 62 (83 requested) and removed 41 (41 requested) atoms. Cycle 5: After refmac, R = 0.2740 (Rfree = 0.000) for 5536 atoms. Found 45 (83 requested) and removed 43 (41 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.43 1.89 NCS extension: 6 residues added (2 deleted due to clashes), 5570 seeds are put forward Round 1: 534 peptides, 60 chains. Longest chain 25 peptides. Score 0.587 Round 2: 556 peptides, 46 chains. Longest chain 48 peptides. Score 0.674 Round 3: 568 peptides, 51 chains. Longest chain 35 peptides. Score 0.663 Round 4: 567 peptides, 46 chains. Longest chain 47 peptides. Score 0.683 Round 5: 573 peptides, 41 chains. Longest chain 67 peptides. Score 0.709 Taking the results from Round 5 Chains 44, Residues 532, Estimated correctness of the model 81.4 % 14 chains (306 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 176 A and 182 A Built loop between residues 213 A and 221 A 42 chains (542 residues) following loop building 12 chains (318 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 7943 restraints for refining 5573 atoms. 4628 conditional restraints added. Observations/parameters ratio is 1.55 ------------------------------------------------------ Cycle 6: After refmac, R = 0.3065 (Rfree = 0.000) for 5573 atoms. Found 83 (83 requested) and removed 68 (41 requested) atoms. Cycle 7: After refmac, R = 0.2755 (Rfree = 0.000) for 5561 atoms. Found 82 (82 requested) and removed 55 (42 requested) atoms. Cycle 8: After refmac, R = 0.2624 (Rfree = 0.000) for 5567 atoms. Found 77 (81 requested) and removed 45 (42 requested) atoms. Cycle 9: After refmac, R = 0.2551 (Rfree = 0.000) for 5587 atoms. Found 64 (79 requested) and removed 43 (42 requested) atoms. Cycle 10: After refmac, R = 0.2468 (Rfree = 0.000) for 5596 atoms. Found 59 (77 requested) and removed 43 (42 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.42 1.88 NCS extension: 206 residues added (102 deleted due to clashes), 5836 seeds are put forward Round 1: 570 peptides, 36 chains. Longest chain 66 peptides. Score 0.727 Round 2: 599 peptides, 35 chains. Longest chain 69 peptides. Score 0.752 Round 3: 605 peptides, 31 chains. Longest chain 101 peptides. Score 0.771 Round 4: 616 peptides, 30 chains. Longest chain 67 peptides. Score 0.782 Round 5: 616 peptides, 28 chains. Longest chain 78 peptides. Score 0.788 Taking the results from Round 5 Chains 32, Residues 588, Estimated correctness of the model 89.6 % 14 chains (453 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 47 A and 50 A Built loop between residues 64 A and 72 A Built loop between residues 95 A and 103 A Built loop between residues 267 A and 272 A Built loop between residues 98 B and 107 B Built loop between residues 174 B and 183 B 23 chains (612 residues) following loop building 8 chains (489 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 6538 restraints for refining 5692 atoms. 2260 conditional restraints added. Observations/parameters ratio is 1.52 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2706 (Rfree = 0.000) for 5692 atoms. Found 76 (76 requested) and removed 58 (42 requested) atoms. Cycle 12: After refmac, R = 0.2460 (Rfree = 0.000) for 5698 atoms. Found 75 (75 requested) and removed 47 (42 requested) atoms. Cycle 13: After refmac, R = 0.2262 (Rfree = 0.000) for 5710 atoms. Found 74 (74 requested) and removed 48 (43 requested) atoms. Cycle 14: After refmac, R = 0.2153 (Rfree = 0.000) for 5716 atoms. Found 72 (72 requested) and removed 46 (43 requested) atoms. Cycle 15: After refmac, R = 0.2094 (Rfree = 0.000) for 5729 atoms. Found 71 (71 requested) and removed 46 (43 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.40 1.87 NCS extension: 78 residues added (87 deleted due to clashes), 5856 seeds are put forward Round 1: 619 peptides, 25 chains. Longest chain 86 peptides. Score 0.800 Round 2: 632 peptides, 18 chains. Longest chain 182 peptides. Score 0.830 Round 3: 626 peptides, 27 chains. Longest chain 98 peptides. Score 0.798 Round 4: 638 peptides, 18 chains. Longest chain 114 peptides. Score 0.833 Round 5: 629 peptides, 21 chains. Longest chain 92 peptides. Score 0.819 Taking the results from Round 4 Chains 23, Residues 620, Estimated correctness of the model 93.3 % 12 chains (556 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 98 A and 106 A Built loop between residues 197 A and 200 A Built loop between residues 224 A and 227 A Built loop between residues 101 B and 105 B Built loop between residues 181 B and 184 B Built loop between residues 216 B and 227 B Built loop between residues 305 B and 308 B 13 chains (638 residues) following loop building 5 chains (584 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 5857 restraints for refining 5646 atoms. 1092 conditional restraints added. Observations/parameters ratio is 1.53 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2151 (Rfree = 0.000) for 5646 atoms. Found 67 (67 requested) and removed 51 (42 requested) atoms. Cycle 17: After refmac, R = 0.1968 (Rfree = 0.000) for 5643 atoms. Found 66 (66 requested) and removed 43 (42 requested) atoms. Cycle 18: After refmac, R = 0.1893 (Rfree = 0.000) for 5659 atoms. Found 65 (65 requested) and removed 45 (42 requested) atoms. Cycle 19: After refmac, R = 0.1834 (Rfree = 0.000) for 5672 atoms. Found 63 (63 requested) and removed 48 (42 requested) atoms. Cycle 20: After refmac, R = 0.1796 (Rfree = 0.000) for 5683 atoms. Found 61 (61 requested) and removed 46 (42 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.37 1.84 NCS extension: 705 residues added (342 deleted due to clashes), 6419 seeds are put forward Round 1: 641 peptides, 17 chains. Longest chain 141 peptides. Score 0.837 Round 2: 640 peptides, 18 chains. Longest chain 109 peptides. Score 0.834 Round 3: 658 peptides, 16 chains. Longest chain 136 peptides. Score 0.848 Round 4: 650 peptides, 12 chains. Longest chain 194 peptides. Score 0.856 Round 5: 648 peptides, 26 chains. Longest chain 89 peptides. Score 0.814 Taking the results from Round 4 Chains 13, Residues 638, Estimated correctness of the model 94.9 % 12 chains (636 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 28 A and 33 A Built loop between residues 61 A and 65 A Built loop between residues 100 A and 104 A Built loop between residues 127 A and 135 A Built loop between residues 154 A and 157 A Built loop between residues 37 B and 39 B Built loop between residues 104 B and 107 B Built loop between residues 153 B and 158 B Built loop between residues 210 B and 213 B Built loop between residues 322 B and 329 B 3 chains (672 residues) following loop building 2 chains (670 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 5578 restraints for refining 5783 atoms. 317 conditional restraints added. Observations/parameters ratio is 1.49 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1987 (Rfree = 0.000) for 5783 atoms. Found 60 (60 requested) and removed 57 (43 requested) atoms. Cycle 22: After refmac, R = 0.1853 (Rfree = 0.000) for 5769 atoms. Found 58 (58 requested) and removed 44 (43 requested) atoms. Cycle 23: After refmac, R = 0.1775 (Rfree = 0.000) for 5777 atoms. Found 57 (57 requested) and removed 44 (43 requested) atoms. Cycle 24: After refmac, R = 0.1734 (Rfree = 0.000) for 5785 atoms. Found 56 (56 requested) and removed 44 (43 requested) atoms. Cycle 25: After refmac, R = 0.1703 (Rfree = 0.000) for 5793 atoms. Found 54 (54 requested) and removed 43 (43 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.36 1.84 NCS extension: 3 residues added (1 deleted due to clashes), 5812 seeds are put forward Round 1: 652 peptides, 15 chains. Longest chain 133 peptides. Score 0.848 Round 2: 657 peptides, 12 chains. Longest chain 167 peptides. Score 0.859 Round 3: 663 peptides, 11 chains. Longest chain 167 peptides. Score 0.864 Round 4: 665 peptides, 14 chains. Longest chain 145 peptides. Score 0.857 Round 5: 659 peptides, 15 chains. Longest chain 167 peptides. Score 0.852 Taking the results from Round 3 Chains 12, Residues 652, Estimated correctness of the model 95.4 % 8 chains (636 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 99 A and 102 A Built loop between residues 153 A and 158 A Built loop between residues 321 A and 329 A Built loop between residues 100 B and 104 B Built loop between residues 121 B and 132 B Built loop between residues 180 B and 183 B 4 chains (672 residues) following loop building 2 chains (664 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 5624 restraints for refining 5716 atoms. 394 conditional restraints added. Observations/parameters ratio is 1.51 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1921 (Rfree = 0.000) for 5716 atoms. Found 51 (51 requested) and removed 51 (42 requested) atoms. Cycle 27: After refmac, R = 0.1779 (Rfree = 0.000) for 5704 atoms. Found 49 (49 requested) and removed 45 (42 requested) atoms. Cycle 28: After refmac, R = 0.1735 (Rfree = 0.000) for 5707 atoms. Found 48 (48 requested) and removed 44 (42 requested) atoms. Cycle 29: After refmac, R = 0.1700 (Rfree = 0.000) for 5707 atoms. Found 46 (46 requested) and removed 43 (42 requested) atoms. Cycle 30: After refmac, R = 0.1705 (Rfree = 0.000) for 5708 atoms. Found 44 (44 requested) and removed 43 (42 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.37 1.84 NCS extension: 868 residues added (289 deleted due to clashes), 6590 seeds are put forward Round 1: 665 peptides, 13 chains. Longest chain 136 peptides. Score 0.860 Round 2: 659 peptides, 11 chains. Longest chain 167 peptides. Score 0.863 Round 3: 647 peptides, 21 chains. Longest chain 126 peptides. Score 0.828 Round 4: 656 peptides, 17 chains. Longest chain 106 peptides. Score 0.845 Round 5: 650 peptides, 13 chains. Longest chain 177 peptides. Score 0.853 Taking the results from Round 2 Chains 11, Residues 648, Estimated correctness of the model 95.3 % 10 chains (641 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 29 A and 33 A Built loop between residues 130 A and 133 A Built loop between residues 180 A and 183 A Built loop between residues 47 B and 50 B Built loop between residues 69 B and 72 B Built loop between residues 153 B and 158 B Built loop between residues 210 B and 213 B Built loop between residues 269 B and 272 B 3 chains (667 residues) following loop building 2 chains (660 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 5631 restraints for refining 5670 atoms. 432 conditional restraints added. Observations/parameters ratio is 1.52 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1866 (Rfree = 0.000) for 5670 atoms. Found 42 (42 requested) and removed 46 (42 requested) atoms. Cycle 32: After refmac, R = 0.1752 (Rfree = 0.000) for 5664 atoms. Found 42 (42 requested) and removed 42 (42 requested) atoms. Cycle 33: After refmac, R = 0.1720 (Rfree = 0.000) for 5659 atoms. Found 42 (42 requested) and removed 43 (42 requested) atoms. Cycle 34: After refmac, R = 0.1702 (Rfree = 0.000) for 5653 atoms. Found 42 (42 requested) and removed 43 (42 requested) atoms. Cycle 35: After refmac, R = 0.1685 (Rfree = 0.000) for 5650 atoms. Found 42 (42 requested) and removed 42 (42 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.36 1.84 NCS extension: 203 residues added (133 deleted due to clashes), 5860 seeds are put forward Round 1: 661 peptides, 10 chains. Longest chain 215 peptides. Score 0.866 Round 2: 664 peptides, 8 chains. Longest chain 216 peptides. Score 0.873 Round 3: 653 peptides, 16 chains. Longest chain 176 peptides. Score 0.846 Round 4: 657 peptides, 16 chains. Longest chain 139 peptides. Score 0.848 Round 5: 660 peptides, 14 chains. Longest chain 157 peptides. Score 0.855 Taking the results from Round 2 Chains 8, Residues 656, Estimated correctness of the model 95.9 % 6 chains (646 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 70 B and 73 B Built loop between residues 142 B and 145 B Built loop between residues 210 B and 213 B 5 chains (662 residues) following loop building 3 chains (652 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 5615 restraints for refining 5639 atoms. 475 conditional restraints added. Observations/parameters ratio is 1.53 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1819 (Rfree = 0.000) for 5639 atoms. Found 42 (42 requested) and removed 45 (42 requested) atoms. Cycle 37: After refmac, R = 0.1752 (Rfree = 0.000) for 5631 atoms. Found 42 (42 requested) and removed 43 (42 requested) atoms. Cycle 38: After refmac, R = 0.1734 (Rfree = 0.000) for 5623 atoms. Found 42 (42 requested) and removed 42 (42 requested) atoms. Cycle 39: After refmac, R = 0.1717 (Rfree = 0.000) for 5623 atoms. Found 42 (42 requested) and removed 42 (42 requested) atoms. Cycle 40: After refmac, R = 0.1710 (Rfree = 0.000) for 5622 atoms. Found 42 (42 requested) and removed 44 (42 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.36 1.84 NCS extension: 204 residues added (144 deleted due to clashes), 5827 seeds are put forward Round 1: 660 peptides, 10 chains. Longest chain 216 peptides. Score 0.866 Round 2: 659 peptides, 11 chains. Longest chain 217 peptides. Score 0.863 Round 3: 657 peptides, 13 chains. Longest chain 166 peptides. Score 0.856 Round 4: 658 peptides, 15 chains. Longest chain 157 peptides. Score 0.851 Round 5: 639 peptides, 19 chains. Longest chain 160 peptides. Score 0.830 Taking the results from Round 1 Chains 11, Residues 650, Estimated correctness of the model 95.5 % 9 chains (639 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 68 A and 72 A Built loop between residues 98 A and 103 A Built loop between residues 128 A and 134 A Built loop between residues 153 B and 158 B Built loop between residues 180 B and 183 B Built loop between residues 212 B and 215 B 5 chains (670 residues) following loop building 3 chains (659 residues) in sequence following loop building ------------------------------------------------------ 34502 reflections ( 99.54 % complete ) and 5617 restraints for refining 5660 atoms. 401 conditional restraints added. Observations/parameters ratio is 1.52 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1833 (Rfree = 0.000) for 5660 atoms. Found 42 (42 requested) and removed 49 (42 requested) atoms. Cycle 42: After refmac, R = 0.1729 (Rfree = 0.000) for 5650 atoms. Found 42 (42 requested) and removed 44 (42 requested) atoms. Cycle 43: After refmac, R = 0.1704 (Rfree = 0.000) for 5645 atoms. Found 42 (42 requested) and removed 43 (42 requested) atoms. Cycle 44: After refmac, R = 0.1673 (Rfree = 0.000) for 5643 atoms. Found 42 (42 requested) and removed 45 (42 requested) atoms. Cycle 45: After refmac, R = 0.1672 (Rfree = 0.000) for 5639 atoms. Found 42 (42 requested) and removed 42 (42 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.38 1.85 NCS extension: 175 residues added (174 deleted due to clashes), 5818 seeds are put forward Round 1: 650 peptides, 13 chains. Longest chain 142 peptides. Score 0.853 Round 2: 655 peptides, 13 chains. Longest chain 168 peptides. Score 0.855 Round 3: 638 peptides, 17 chains. Longest chain 126 peptides. Score 0.836 Round 4: 650 peptides, 14 chains. Longest chain 116 peptides. Score 0.850 Round 5: 636 peptides, 17 chains. Longest chain 160 peptides. Score 0.835 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 17, Residues 642, Estimated correctness of the model 94.8 % 12 chains (631 residues) have been docked in sequence Sequence coverage is 98 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 33 A and 37 A Built loop between residues 61 A and 65 A Built loop between residues 100 A and 106 A Built loop between residues 128 A and 135 A Built loop between residues 322 A and 325 A Built loop between residues 70 B and 73 B Built loop between residues 129 B and 132 B Built loop between residues 180 B and 183 B 7 chains (665 residues) following loop building 4 chains (656 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 34502 reflections ( 99.54 % complete ) and 5168 restraints for refining 5074 atoms. Observations/parameters ratio is 1.70 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2380 (Rfree = 0.000) for 5074 atoms. Found 38 (38 requested) and removed 0 (38 requested) atoms. Cycle 47: After refmac, R = 0.2256 (Rfree = 0.000) for 5074 atoms. Found 38 (38 requested) and removed 3 (38 requested) atoms. Cycle 48: After refmac, R = 0.2189 (Rfree = 0.000) for 5074 atoms. Found 38 (38 requested) and removed 3 (38 requested) atoms. Cycle 49: After refmac, R = 0.2136 (Rfree = 0.000) for 5074 atoms. Found 36 (38 requested) and removed 4 (38 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 12:21:21 GMT 2018 Job finished. TimeTaking 275.75 Used memory is bytes: 12926440