Sun 23 Dec 22:22:46 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 2fg0-3.2-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2fg0-3.2-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2fg0-3.2-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fg0-3.2-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/2fg0-3.2-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fg0-3.2-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/2fg0-3.2-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fg0-3.2-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 544 and 0 Target number of residues in the AU: 544 Target solvent content: 0.6130 Checking the provided sequence file Detected sequence length: 246 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 492 Adjusted target solvent content: 0.65 Input MTZ file: 2fg0-3.2-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: 92 Cell parameters: 124.890 124.890 97.540 90.000 90.000 90.000 Input sequence file: 2fg0-3.2-parrot-hancs.fasta_lf Building free atoms model in initial map for 3936 target number of atoms Had to go as low as 0.75 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: 88.311 3.200 Wilson plot Bfac: 58.06 13203 reflections ( 99.78 % complete ) and 0 restraints for refining 4377 atoms. Observations/parameters ratio is 0.75 ------------------------------------------------------ Starting model: R = 0.2875 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2229 (Rfree = 0.000) for 4377 atoms. Found 35 (39 requested) and removed 25 (19 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 3.10 2.52 Search for helices and strands: 0 residues in 0 chains, 4447 seeds are put forward NCS extension: 0 residues added, 4447 seeds are put forward Round 1: 335 peptides, 40 chains. Longest chain 32 peptides. Score 0.559 Round 2: 359 peptides, 28 chains. Longest chain 39 peptides. Score 0.684 Round 3: 371 peptides, 31 chains. Longest chain 38 peptides. Score 0.680 Round 4: 381 peptides, 26 chains. Longest chain 40 peptides. Score 0.724 Round 5: 385 peptides, 28 chains. Longest chain 38 peptides. Score 0.717 Taking the results from Round 4 Chains 32, Residues 355, Estimated correctness of the model 70.1 % 8 chains (175 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 101 B and 111 B Built loop between residues 199 B and 207 B 28 chains (366 residues) following loop building 6 chains (191 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 5873 restraints for refining 3758 atoms. 3704 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2691 (Rfree = 0.000) for 3758 atoms. Found 33 (33 requested) and removed 56 (16 requested) atoms. Cycle 2: After refmac, R = 0.2610 (Rfree = 0.000) for 3658 atoms. Found 32 (32 requested) and removed 46 (16 requested) atoms. Cycle 3: After refmac, R = 0.2385 (Rfree = 0.000) for 3597 atoms. Found 26 (31 requested) and removed 23 (16 requested) atoms. Cycle 4: After refmac, R = 0.2294 (Rfree = 0.000) for 3581 atoms. Found 12 (30 requested) and removed 30 (16 requested) atoms. Cycle 5: After refmac, R = 0.2235 (Rfree = 0.000) for 3551 atoms. Found 17 (29 requested) and removed 17 (15 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 3.14 2.56 Search for helices and strands: 0 residues in 0 chains, 3642 seeds are put forward NCS extension: 29 residues added (27 deleted due to clashes), 3671 seeds are put forward Round 1: 375 peptides, 29 chains. Longest chain 39 peptides. Score 0.698 Round 2: 378 peptides, 28 chains. Longest chain 39 peptides. Score 0.708 Round 3: 368 peptides, 27 chains. Longest chain 51 peptides. Score 0.702 Round 4: 378 peptides, 26 chains. Longest chain 50 peptides. Score 0.721 Round 5: 373 peptides, 26 chains. Longest chain 48 peptides. Score 0.715 Taking the results from Round 4 Chains 31, Residues 352, Estimated correctness of the model 69.5 % 9 chains (182 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 149 B and 152 B 29 chains (352 residues) following loop building 8 chains (184 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 5831 restraints for refining 3593 atoms. 3819 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2749 (Rfree = 0.000) for 3593 atoms. Found 29 (29 requested) and removed 38 (16 requested) atoms. Cycle 7: After refmac, R = 0.2580 (Rfree = 0.000) for 3564 atoms. Found 28 (28 requested) and removed 31 (16 requested) atoms. Cycle 8: After refmac, R = 0.2456 (Rfree = 0.000) for 3527 atoms. Found 27 (27 requested) and removed 21 (15 requested) atoms. Cycle 9: After refmac, R = 0.2383 (Rfree = 0.000) for 3517 atoms. Found 24 (26 requested) and removed 25 (15 requested) atoms. Cycle 10: After refmac, R = 0.2306 (Rfree = 0.000) for 3501 atoms. Found 17 (25 requested) and removed 23 (15 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 3.10 2.52 Search for helices and strands: 0 residues in 0 chains, 3614 seeds are put forward NCS extension: 15 residues added (39 deleted due to clashes), 3629 seeds are put forward Round 1: 371 peptides, 31 chains. Longest chain 41 peptides. Score 0.680 Round 2: 373 peptides, 24 chains. Longest chain 42 peptides. Score 0.727 Round 3: 375 peptides, 26 chains. Longest chain 47 peptides. Score 0.717 Round 4: 366 peptides, 25 chains. Longest chain 48 peptides. Score 0.712 Round 5: 373 peptides, 26 chains. Longest chain 42 peptides. Score 0.715 Taking the results from Round 2 Chains 24, Residues 349, Estimated correctness of the model 70.7 % 5 chains (143 residues) have been docked in sequence Building loops using Loopy2018 24 chains (349 residues) following loop building 5 chains (143 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 6165 restraints for refining 3593 atoms. 4218 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2621 (Rfree = 0.000) for 3593 atoms. Found 26 (26 requested) and removed 32 (16 requested) atoms. Cycle 12: After refmac, R = 0.2527 (Rfree = 0.000) for 3570 atoms. Found 25 (25 requested) and removed 25 (16 requested) atoms. Cycle 13: After refmac, R = 0.2475 (Rfree = 0.000) for 3565 atoms. Found 10 (24 requested) and removed 23 (16 requested) atoms. Cycle 14: After refmac, R = 0.2410 (Rfree = 0.000) for 3550 atoms. Found 9 (23 requested) and removed 19 (15 requested) atoms. Cycle 15: After refmac, R = 0.2306 (Rfree = 0.000) for 3537 atoms. Found 7 (22 requested) and removed 17 (15 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 3.09 2.51 Search for helices and strands: 0 residues in 0 chains, 3620 seeds are put forward NCS extension: 16 residues added (24 deleted due to clashes), 3636 seeds are put forward Round 1: 354 peptides, 27 chains. Longest chain 40 peptides. Score 0.684 Round 2: 371 peptides, 24 chains. Longest chain 45 peptides. Score 0.725 Round 3: 384 peptides, 26 chains. Longest chain 49 peptides. Score 0.728 Round 4: 385 peptides, 18 chains. Longest chain 66 peptides. Score 0.775 Round 5: 380 peptides, 26 chains. Longest chain 51 peptides. Score 0.723 Taking the results from Round 4 Chains 26, Residues 367, Estimated correctness of the model 79.4 % 12 chains (274 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 101 B and 106 B Built loop between residues 131 B and 142 B Built loop between residues 147 B and 151 B Built loop between residues 215 B and 226 B 20 chains (390 residues) following loop building 8 chains (301 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4506 restraints for refining 3593 atoms. 1798 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2809 (Rfree = 0.000) for 3593 atoms. Found 22 (22 requested) and removed 35 (16 requested) atoms. Cycle 17: After refmac, R = 0.2588 (Rfree = 0.000) for 3559 atoms. Found 22 (22 requested) and removed 25 (16 requested) atoms. Cycle 18: After refmac, R = 0.2537 (Rfree = 0.000) for 3551 atoms. Found 20 (20 requested) and removed 24 (15 requested) atoms. Cycle 19: After refmac, R = 0.2463 (Rfree = 0.000) for 3541 atoms. Found 14 (20 requested) and removed 21 (15 requested) atoms. Cycle 20: After refmac, R = 0.2375 (Rfree = 0.000) for 3528 atoms. Found 13 (19 requested) and removed 21 (15 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 3.08 2.51 Search for helices and strands: 0 residues in 0 chains, 3657 seeds are put forward NCS extension: 161 residues added (112 deleted due to clashes), 3818 seeds are put forward Round 1: 373 peptides, 28 chains. Longest chain 45 peptides. Score 0.702 Round 2: 370 peptides, 24 chains. Longest chain 47 peptides. Score 0.723 Round 3: 388 peptides, 23 chains. Longest chain 45 peptides. Score 0.750 Round 4: 393 peptides, 22 chains. Longest chain 61 peptides. Score 0.761 Round 5: 391 peptides, 23 chains. Longest chain 49 peptides. Score 0.753 Taking the results from Round 4 Chains 28, Residues 371, Estimated correctness of the model 77.0 % 11 chains (243 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 138 B and 142 B Built loop between residues 188 B and 196 B Built loop between residues 220 B and 226 B 25 chains (386 residues) following loop building 8 chains (258 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 5065 restraints for refining 3593 atoms. 2526 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2675 (Rfree = 0.000) for 3593 atoms. Found 19 (19 requested) and removed 55 (16 requested) atoms. Cycle 22: After refmac, R = 0.2532 (Rfree = 0.000) for 3536 atoms. Found 18 (18 requested) and removed 33 (15 requested) atoms. Cycle 23: After refmac, R = 0.2487 (Rfree = 0.000) for 3508 atoms. Found 17 (17 requested) and removed 27 (15 requested) atoms. Cycle 24: After refmac, R = 0.2505 (Rfree = 0.000) for 3489 atoms. Found 17 (17 requested) and removed 27 (15 requested) atoms. Cycle 25: After refmac, R = 0.2403 (Rfree = 0.000) for 3473 atoms. Found 16 (16 requested) and removed 26 (15 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 3.13 2.55 Search for helices and strands: 0 residues in 0 chains, 3571 seeds are put forward NCS extension: 87 residues added (96 deleted due to clashes), 3658 seeds are put forward Round 1: 375 peptides, 30 chains. Longest chain 37 peptides. Score 0.692 Round 2: 388 peptides, 24 chains. Longest chain 48 peptides. Score 0.744 Round 3: 401 peptides, 21 chains. Longest chain 56 peptides. Score 0.775 Round 4: 385 peptides, 28 chains. Longest chain 34 peptides. Score 0.717 Round 5: 390 peptides, 22 chains. Longest chain 57 peptides. Score 0.758 Taking the results from Round 3 Chains 24, Residues 380, Estimated correctness of the model 79.4 % 12 chains (295 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 168 A and 171 A Built loop between residues 181 A and 184 A Built loop between residues 129 B and 133 B Built loop between residues 165 B and 171 B Built loop between residues 180 B and 186 B Built loop between residues 219 B and 229 B 16 chains (402 residues) following loop building 6 chains (321 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4496 restraints for refining 3593 atoms. 1629 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2581 (Rfree = 0.000) for 3593 atoms. Found 16 (16 requested) and removed 38 (16 requested) atoms. Cycle 27: After refmac, R = 0.2284 (Rfree = 0.000) for 3556 atoms. Found 16 (16 requested) and removed 32 (16 requested) atoms. Cycle 28: After refmac, R = 0.2167 (Rfree = 0.000) for 3530 atoms. Found 15 (15 requested) and removed 26 (15 requested) atoms. Cycle 29: After refmac, R = 0.2107 (Rfree = 0.000) for 3517 atoms. Found 15 (15 requested) and removed 23 (15 requested) atoms. Cycle 30: After refmac, R = 0.2146 (Rfree = 0.000) for 3507 atoms. Found 15 (15 requested) and removed 23 (15 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 3.11 2.53 Search for helices and strands: 0 residues in 0 chains, 3603 seeds are put forward NCS extension: 79 residues added (144 deleted due to clashes), 3682 seeds are put forward Round 1: 370 peptides, 25 chains. Longest chain 46 peptides. Score 0.717 Round 2: 389 peptides, 23 chains. Longest chain 49 peptides. Score 0.751 Round 3: 394 peptides, 23 chains. Longest chain 55 peptides. Score 0.757 Round 4: 387 peptides, 24 chains. Longest chain 46 peptides. Score 0.743 Round 5: 379 peptides, 29 chains. Longest chain 51 peptides. Score 0.703 Taking the results from Round 3 Chains 31, Residues 371, Estimated correctness of the model 76.3 % 14 chains (283 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 182 A and 186 A Built loop between residues 62 B and 70 B Built loop between residues 148 B and 151 B Built loop between residues 179 B and 182 B Built loop between residues 219 B and 223 B 24 chains (382 residues) following loop building 9 chains (300 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4813 restraints for refining 3592 atoms. 2122 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2467 (Rfree = 0.000) for 3592 atoms. Found 16 (16 requested) and removed 53 (16 requested) atoms. Cycle 32: After refmac, R = 0.2307 (Rfree = 0.000) for 3539 atoms. Found 15 (15 requested) and removed 28 (15 requested) atoms. Cycle 33: After refmac, R = 0.2270 (Rfree = 0.000) for 3517 atoms. Found 15 (15 requested) and removed 30 (15 requested) atoms. Cycle 34: After refmac, R = 0.2115 (Rfree = 0.000) for 3492 atoms. Found 15 (15 requested) and removed 23 (15 requested) atoms. Cycle 35: After refmac, R = 0.2026 (Rfree = 0.000) for 3476 atoms. Found 15 (15 requested) and removed 24 (15 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 3.06 2.49 Search for helices and strands: 0 residues in 0 chains, 3567 seeds are put forward NCS extension: 62 residues added (108 deleted due to clashes), 3629 seeds are put forward Round 1: 394 peptides, 24 chains. Longest chain 58 peptides. Score 0.751 Round 2: 407 peptides, 21 chains. Longest chain 58 peptides. Score 0.781 Round 3: 401 peptides, 22 chains. Longest chain 58 peptides. Score 0.769 Round 4: 393 peptides, 23 chains. Longest chain 56 peptides. Score 0.756 Round 5: 390 peptides, 26 chains. Longest chain 41 peptides. Score 0.735 Taking the results from Round 2 Chains 29, Residues 386, Estimated correctness of the model 80.4 % 13 chains (288 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 80 A and 83 A Built loop between residues 109 A and 113 A Built loop between residues 81 B and 84 B Built loop between residues 106 B and 110 B 24 chains (394 residues) following loop building 9 chains (298 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4781 restraints for refining 3593 atoms. 1986 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2270 (Rfree = 0.000) for 3593 atoms. Found 16 (16 requested) and removed 41 (16 requested) atoms. Cycle 37: After refmac, R = 0.2159 (Rfree = 0.000) for 3551 atoms. Found 16 (16 requested) and removed 30 (16 requested) atoms. Cycle 38: After refmac, R = 0.2064 (Rfree = 0.000) for 3523 atoms. Found 15 (15 requested) and removed 21 (15 requested) atoms. Cycle 39: After refmac, R = 0.1841 (Rfree = 0.000) for 3511 atoms. Found 15 (15 requested) and removed 21 (15 requested) atoms. Cycle 40: After refmac, R = 0.1866 (Rfree = 0.000) for 3505 atoms. Found 15 (15 requested) and removed 20 (15 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 3.07 2.50 Search for helices and strands: 0 residues in 0 chains, 3599 seeds are put forward NCS extension: 30 residues added (94 deleted due to clashes), 3629 seeds are put forward Round 1: 390 peptides, 23 chains. Longest chain 58 peptides. Score 0.752 Round 2: 394 peptides, 22 chains. Longest chain 57 peptides. Score 0.762 Round 3: 403 peptides, 18 chains. Longest chain 57 peptides. Score 0.793 Round 4: 395 peptides, 22 chains. Longest chain 57 peptides. Score 0.763 Round 5: 389 peptides, 25 chains. Longest chain 57 peptides. Score 0.740 Taking the results from Round 3 Chains 19, Residues 385, Estimated correctness of the model 82.3 % 9 chains (303 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 80 A and 83 A Built loop between residues 81 B and 84 B 17 chains (389 residues) following loop building 7 chains (307 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 13203 reflections ( 99.78 % complete ) and 4845 restraints for refining 3593 atoms. 2064 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2233 (Rfree = 0.000) for 3593 atoms. Found 16 (16 requested) and removed 30 (16 requested) atoms. Cycle 42: After refmac, R = 0.2091 (Rfree = 0.000) for 3563 atoms. Found 16 (16 requested) and removed 23 (16 requested) atoms. Cycle 43: After refmac, R = 0.1968 (Rfree = 0.000) for 3548 atoms. Found 15 (15 requested) and removed 23 (15 requested) atoms. Cycle 44: After refmac, R = 0.1946 (Rfree = 0.000) for 3537 atoms. Found 15 (15 requested) and removed 19 (15 requested) atoms. Cycle 45: After refmac, R = 0.1909 (Rfree = 0.000) for 3528 atoms. Found 15 (15 requested) and removed 22 (15 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 3.04 2.47 Search for helices and strands: 0 residues in 0 chains, 3620 seeds are put forward NCS extension: 7 residues added (37 deleted due to clashes), 3627 seeds are put forward Round 1: 393 peptides, 25 chains. Longest chain 57 peptides. Score 0.744 Round 2: 405 peptides, 17 chains. Longest chain 58 peptides. Score 0.800 Round 3: 390 peptides, 19 chains. Longest chain 61 peptides. Score 0.775 Round 4: 386 peptides, 26 chains. Longest chain 50 peptides. Score 0.730 Round 5: 386 peptides, 25 chains. Longest chain 36 peptides. Score 0.736 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 20, Residues 388, Estimated correctness of the model 83.4 % 12 chains (325 residues) have been docked in sequence Sequence coverage is 83 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 77 A and 87 A Built loop between residues 165 A and 170 A Built loop between residues 80 B and 83 B Built loop between residues 148 B and 151 B Built loop between residues 167 B and 170 B Built loop between residues 224 B and 230 B 12 chains (405 residues) following loop building 6 chains (349 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 13203 reflections ( 99.78 % complete ) and 3017 restraints for refining 2956 atoms. Observations/parameters ratio is 1.12 ------------------------------------------------------ Cycle 46: After refmac, R = 0.3075 (Rfree = 0.000) for 2956 atoms. Found 13 (13 requested) and removed 0 (13 requested) atoms. Cycle 47: After refmac, R = 0.2880 (Rfree = 0.000) for 2956 atoms. Found 13 (13 requested) and removed 2 (13 requested) atoms. Cycle 48: After refmac, R = 0.2774 (Rfree = 0.000) for 2956 atoms. Found 13 (13 requested) and removed 0 (13 requested) atoms. Cycle 49: After refmac, R = 0.2688 (Rfree = 0.000) for 2956 atoms. TimeTaking 69.33