Mon 24 Dec 07:30:30 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 2fg0-3.2-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2fg0-3.2-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2fg0-3.2-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2fg0-3.2-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/2fg0-3.2-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2fg0-3.2-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 07:30:35 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/2fg0-3.2-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2fg0-3.2-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 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-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: 92 Cell parameters: 124.890 124.890 97.540 90.000 90.000 90.000 Input sequence file: 2fg0-3.2-parrot-noncs.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 4385 atoms. Observations/parameters ratio is 0.75 ------------------------------------------------------ Starting model: R = 0.2850 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2456 (Rfree = 0.000) for 4385 atoms. Found 39 (39 requested) and removed 24 (19 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 3.09 2.51 Search for helices and strands: 0 residues in 0 chains, 4468 seeds are put forward NCS extension: 0 residues added, 4468 seeds are put forward Round 1: 336 peptides, 43 chains. Longest chain 29 peptides. Score 0.537 Round 2: 348 peptides, 32 chains. Longest chain 34 peptides. Score 0.641 Round 3: 362 peptides, 28 chains. Longest chain 47 peptides. Score 0.688 Round 4: 377 peptides, 26 chains. Longest chain 56 peptides. Score 0.720 Round 5: 359 peptides, 28 chains. Longest chain 36 peptides. Score 0.684 Taking the results from Round 4 Chains 29, Residues 351, Estimated correctness of the model 69.3 % 8 chains (147 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 82 A and 90 A Built loop between residues 219 A and 228 A Built loop between residues 80 B and 83 B 25 chains (365 residues) following loop building 5 chains (164 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 6186 restraints for refining 3730 atoms. 4132 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2780 (Rfree = 0.000) for 3730 atoms. Found 33 (33 requested) and removed 47 (16 requested) atoms. Cycle 2: After refmac, R = 0.2521 (Rfree = 0.000) for 3664 atoms. Found 32 (32 requested) and removed 22 (16 requested) atoms. Cycle 3: After refmac, R = 0.2395 (Rfree = 0.000) for 3619 atoms. Found 31 (31 requested) and removed 22 (16 requested) atoms. Cycle 4: After refmac, R = 0.2333 (Rfree = 0.000) for 3596 atoms. Found 22 (30 requested) and removed 21 (16 requested) atoms. Cycle 5: After refmac, R = 0.2262 (Rfree = 0.000) for 3588 atoms. Found 9 (29 requested) and removed 17 (16 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 3.04 2.47 Search for helices and strands: 0 residues in 0 chains, 3672 seeds are put forward NCS extension: 38 residues added (71 deleted due to clashes), 3710 seeds are put forward Round 1: 366 peptides, 33 chains. Longest chain 40 peptides. Score 0.660 Round 2: 387 peptides, 22 chains. Longest chain 57 peptides. Score 0.755 Round 3: 401 peptides, 21 chains. Longest chain 57 peptides. Score 0.775 Round 4: 398 peptides, 24 chains. Longest chain 58 peptides. Score 0.755 Round 5: 392 peptides, 21 chains. Longest chain 51 peptides. Score 0.766 Taking the results from Round 3 Chains 28, Residues 380, Estimated correctness of the model 79.4 % 13 chains (299 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 74 A and 80 A Built loop between residues 190 A and 196 A Built loop between residues 80 B and 85 B Built loop between residues 127 B and 138 B Built loop between residues 145 B and 148 B Built loop between residues 192 B and 195 B 18 chains (400 residues) following loop building 7 chains (327 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4671 restraints for refining 3758 atoms. 1795 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2396 (Rfree = 0.000) for 3758 atoms. Found 30 (30 requested) and removed 47 (16 requested) atoms. Cycle 7: After refmac, R = 0.2196 (Rfree = 0.000) for 3691 atoms. Found 29 (29 requested) and removed 26 (16 requested) atoms. Cycle 8: After refmac, R = 0.2120 (Rfree = 0.000) for 3671 atoms. Found 28 (28 requested) and removed 21 (16 requested) atoms. Cycle 9: After refmac, R = 0.2081 (Rfree = 0.000) for 3664 atoms. Found 28 (28 requested) and removed 22 (16 requested) atoms. Cycle 10: After refmac, R = 0.2012 (Rfree = 0.000) for 3654 atoms. Found 26 (26 requested) and removed 18 (16 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 3.13 2.55 Search for helices and strands: 0 residues in 0 chains, 3786 seeds are put forward NCS extension: 95 residues added (27 deleted due to clashes), 3881 seeds are put forward Round 1: 390 peptides, 25 chains. Longest chain 47 peptides. Score 0.741 Round 2: 405 peptides, 25 chains. Longest chain 78 peptides. Score 0.757 Round 3: 397 peptides, 20 chains. Longest chain 54 peptides. Score 0.776 Round 4: 389 peptides, 22 chains. Longest chain 76 peptides. Score 0.757 Round 5: 388 peptides, 24 chains. Longest chain 57 peptides. Score 0.744 Taking the results from Round 3 Chains 23, Residues 377, Estimated correctness of the model 79.6 % 12 chains (306 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 75 A and 80 A Built loop between residues 193 A and 197 A Built loop between residues 79 B and 83 B Built loop between residues 206 B and 208 B Built loop between residues 220 B and 227 B 17 chains (392 residues) following loop building 7 chains (323 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4544 restraints for refining 3628 atoms. 1729 conditional restraints added. Observations/parameters ratio is 0.91 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2523 (Rfree = 0.000) for 3628 atoms. Found 26 (26 requested) and removed 47 (16 requested) atoms. Cycle 12: After refmac, R = 0.2456 (Rfree = 0.000) for 3586 atoms. Found 25 (25 requested) and removed 45 (16 requested) atoms. Cycle 13: After refmac, R = 0.2227 (Rfree = 0.000) for 3558 atoms. Found 24 (24 requested) and removed 21 (16 requested) atoms. Cycle 14: After refmac, R = 0.2080 (Rfree = 0.000) for 3543 atoms. Found 23 (23 requested) and removed 25 (15 requested) atoms. Cycle 15: After refmac, R = 0.2006 (Rfree = 0.000) for 3535 atoms. Found 20 (22 requested) and removed 20 (15 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 3.09 2.51 Search for helices and strands: 0 residues in 0 chains, 3660 seeds are put forward NCS extension: 57 residues added (43 deleted due to clashes), 3717 seeds are put forward Round 1: 385 peptides, 27 chains. Longest chain 45 peptides. Score 0.723 Round 2: 391 peptides, 22 chains. Longest chain 49 peptides. Score 0.759 Round 3: 384 peptides, 24 chains. Longest chain 47 peptides. Score 0.740 Round 4: 386 peptides, 24 chains. Longest chain 51 peptides. Score 0.742 Round 5: 387 peptides, 23 chains. Longest chain 50 peptides. Score 0.749 Taking the results from Round 2 Chains 25, Residues 369, Estimated correctness of the model 76.7 % 12 chains (304 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 79 A and 85 A Built loop between residues 74 B and 84 B Built loop between residues 97 B and 101 B Built loop between residues 222 B and 225 B 20 chains (386 residues) following loop building 8 chains (323 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4569 restraints for refining 3593 atoms. 1736 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2438 (Rfree = 0.000) for 3593 atoms. Found 22 (22 requested) and removed 49 (16 requested) atoms. Cycle 17: After refmac, R = 0.2188 (Rfree = 0.000) for 3549 atoms. Found 21 (21 requested) and removed 31 (15 requested) atoms. Cycle 18: After refmac, R = 0.2108 (Rfree = 0.000) for 3532 atoms. Found 20 (20 requested) and removed 33 (15 requested) atoms. Cycle 19: After refmac, R = 0.2083 (Rfree = 0.000) for 3508 atoms. Found 20 (20 requested) and removed 26 (15 requested) atoms. Cycle 20: After refmac, R = 0.1974 (Rfree = 0.000) for 3489 atoms. Found 19 (19 requested) and removed 21 (15 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 3.11 2.53 Search for helices and strands: 0 residues in 0 chains, 3603 seeds are put forward NCS extension: 114 residues added (78 deleted due to clashes), 3717 seeds are put forward Round 1: 385 peptides, 22 chains. Longest chain 45 peptides. Score 0.752 Round 2: 396 peptides, 21 chains. Longest chain 69 peptides. Score 0.770 Round 3: 398 peptides, 22 chains. Longest chain 59 peptides. Score 0.766 Round 4: 394 peptides, 18 chains. Longest chain 61 peptides. Score 0.784 Round 5: 404 peptides, 21 chains. Longest chain 58 peptides. Score 0.778 Taking the results from Round 4 Chains 18, Residues 376, Estimated correctness of the model 80.9 % 12 chains (341 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 80 A and 84 A Built loop between residues 114 A and 117 A Built loop between residues 167 A and 170 A Built loop between residues 194 A and 197 A Built loop between residues 75 B and 84 B Built loop between residues 114 B and 119 B 12 chains (397 residues) following loop building 6 chains (362 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4199 restraints for refining 3612 atoms. 1135 conditional restraints added. Observations/parameters ratio is 0.91 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2220 (Rfree = 0.000) for 3612 atoms. Found 19 (19 requested) and removed 49 (16 requested) atoms. Cycle 22: After refmac, R = 0.2027 (Rfree = 0.000) for 3561 atoms. Found 19 (19 requested) and removed 29 (16 requested) atoms. Cycle 23: After refmac, R = 0.1901 (Rfree = 0.000) for 3540 atoms. Found 17 (17 requested) and removed 22 (15 requested) atoms. Cycle 24: After refmac, R = 0.1878 (Rfree = 0.000) for 3532 atoms. Found 17 (17 requested) and removed 19 (15 requested) atoms. Cycle 25: After refmac, R = 0.1842 (Rfree = 0.000) for 3526 atoms. Found 16 (16 requested) and removed 19 (15 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 3.06 2.49 Search for helices and strands: 0 residues in 0 chains, 3617 seeds are put forward NCS extension: 62 residues added (12 deleted due to clashes), 3679 seeds are put forward Round 1: 396 peptides, 21 chains. Longest chain 51 peptides. Score 0.770 Round 2: 407 peptides, 19 chains. Longest chain 57 peptides. Score 0.791 Round 3: 401 peptides, 21 chains. Longest chain 57 peptides. Score 0.775 Round 4: 394 peptides, 22 chains. Longest chain 57 peptides. Score 0.762 Round 5: 391 peptides, 23 chains. Longest chain 57 peptides. Score 0.753 Taking the results from Round 2 Chains 21, Residues 388, Estimated correctness of the model 82.0 % 12 chains (334 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 83 A and 88 A Built loop between residues 114 A and 117 A Built loop between residues 165 A and 170 A Built loop between residues 178 A and 184 A Built loop between residues 80 B and 83 B Built loop between residues 167 B and 170 B 13 chains (404 residues) following loop building 6 chains (353 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4316 restraints for refining 3592 atoms. 1285 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2152 (Rfree = 0.000) for 3592 atoms. Found 16 (16 requested) and removed 42 (16 requested) atoms. Cycle 27: After refmac, R = 0.1962 (Rfree = 0.000) for 3556 atoms. Found 15 (15 requested) and removed 22 (15 requested) atoms. Cycle 28: After refmac, R = 0.1863 (Rfree = 0.000) for 3543 atoms. Found 15 (15 requested) and removed 16 (15 requested) atoms. Cycle 29: After refmac, R = 0.1795 (Rfree = 0.000) for 3535 atoms. Found 15 (15 requested) and removed 17 (15 requested) atoms. Cycle 30: After refmac, R = 0.1781 (Rfree = 0.000) for 3530 atoms. Found 15 (15 requested) and removed 15 (15 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 3.06 2.49 Search for helices and strands: 0 residues in 0 chains, 3636 seeds are put forward NCS extension: 14 residues added (13 deleted due to clashes), 3650 seeds are put forward Round 1: 395 peptides, 19 chains. Longest chain 60 peptides. Score 0.780 Round 2: 398 peptides, 19 chains. Longest chain 59 peptides. Score 0.783 Round 3: 396 peptides, 16 chains. Longest chain 57 peptides. Score 0.796 Round 4: 398 peptides, 21 chains. Longest chain 75 peptides. Score 0.772 Round 5: 387 peptides, 23 chains. Longest chain 58 peptides. Score 0.749 Taking the results from Round 3 Chains 20, Residues 380, Estimated correctness of the model 82.8 % 9 chains (288 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 166 A and 175 A Built loop between residues 80 B and 86 B Built loop between residues 207 B and 211 B 16 chains (395 residues) following loop building 6 chains (304 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4725 restraints for refining 3593 atoms. 1951 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2348 (Rfree = 0.000) for 3593 atoms. Found 16 (16 requested) and removed 41 (16 requested) atoms. Cycle 32: After refmac, R = 0.2106 (Rfree = 0.000) for 3558 atoms. Found 16 (16 requested) and removed 27 (16 requested) atoms. Cycle 33: After refmac, R = 0.2032 (Rfree = 0.000) for 3544 atoms. Found 15 (15 requested) and removed 21 (15 requested) atoms. Cycle 34: After refmac, R = 0.1891 (Rfree = 0.000) for 3532 atoms. Found 15 (15 requested) and removed 16 (15 requested) atoms. Cycle 35: After refmac, R = 0.1869 (Rfree = 0.000) for 3526 atoms. Found 15 (15 requested) and removed 19 (15 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 3.12 2.54 Search for helices and strands: 0 residues in 0 chains, 3637 seeds are put forward NCS extension: 31 residues added (118 deleted due to clashes), 3668 seeds are put forward Round 1: 391 peptides, 20 chains. Longest chain 68 peptides. Score 0.770 Round 2: 394 peptides, 24 chains. Longest chain 51 peptides. Score 0.751 Round 3: 383 peptides, 22 chains. Longest chain 50 peptides. Score 0.750 Round 4: 390 peptides, 23 chains. Longest chain 44 peptides. Score 0.752 Round 5: 388 peptides, 20 chains. Longest chain 49 peptides. Score 0.767 Taking the results from Round 1 Chains 21, Residues 371, Estimated correctness of the model 78.6 % 9 chains (265 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 40 A and 44 A Built loop between residues 180 B and 184 B 19 chains (377 residues) following loop building 7 chains (271 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 5108 restraints for refining 3593 atoms. 2534 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2140 (Rfree = 0.000) for 3593 atoms. Found 16 (16 requested) and removed 41 (16 requested) atoms. Cycle 37: After refmac, R = 0.2065 (Rfree = 0.000) for 3558 atoms. Found 16 (16 requested) and removed 17 (16 requested) atoms. Cycle 38: After refmac, R = 0.2034 (Rfree = 0.000) for 3553 atoms. Found 15 (15 requested) and removed 16 (15 requested) atoms. Cycle 39: After refmac, R = 0.2036 (Rfree = 0.000) for 3544 atoms. Found 11 (15 requested) and removed 16 (15 requested) atoms. Cycle 40: After refmac, R = 0.2050 (Rfree = 0.000) for 3535 atoms. Found 7 (15 requested) and removed 21 (15 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 3.07 2.50 Search for helices and strands: 0 residues in 0 chains, 3633 seeds are put forward NCS extension: 19 residues added (126 deleted due to clashes), 3652 seeds are put forward Round 1: 383 peptides, 23 chains. Longest chain 57 peptides. Score 0.744 Round 2: 390 peptides, 24 chains. Longest chain 58 peptides. Score 0.747 Round 3: 405 peptides, 19 chains. Longest chain 67 peptides. Score 0.789 Round 4: 394 peptides, 26 chains. Longest chain 58 peptides. Score 0.740 Round 5: 404 peptides, 22 chains. Longest chain 89 peptides. Score 0.773 Taking the results from Round 3 Chains 24, Residues 386, Estimated correctness of the model 81.7 % 12 chains (317 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 159 A and 163 A Built loop between residues 182 A and 185 A Built loop between residues 193 A and 197 A Built loop between residues 81 B and 86 B Built loop between residues 148 B and 151 B Built loop between residues 194 B and 197 B Built loop between residues 208 B and 211 B 16 chains (403 residues) following loop building 5 chains (335 residues) in sequence following loop building ------------------------------------------------------ 13203 reflections ( 99.78 % complete ) and 4399 restraints for refining 3593 atoms. 1450 conditional restraints added. Observations/parameters ratio is 0.92 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2147 (Rfree = 0.000) for 3593 atoms. Found 16 (16 requested) and removed 51 (16 requested) atoms. Cycle 42: After refmac, R = 0.1934 (Rfree = 0.000) for 3548 atoms. Found 15 (15 requested) and removed 23 (15 requested) atoms. Cycle 43: After refmac, R = 0.1889 (Rfree = 0.000) for 3535 atoms. Found 15 (15 requested) and removed 23 (15 requested) atoms. Cycle 44: After refmac, R = 0.1872 (Rfree = 0.000) for 3525 atoms. Found 15 (15 requested) and removed 18 (15 requested) atoms. Cycle 45: After refmac, R = 0.1841 (Rfree = 0.000) for 3521 atoms. Found 15 (15 requested) and removed 16 (15 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 3.06 2.49 Search for helices and strands: 0 residues in 0 chains, 3615 seeds are put forward NCS extension: 37 residues added (104 deleted due to clashes), 3652 seeds are put forward Round 1: 384 peptides, 21 chains. Longest chain 48 peptides. Score 0.757 Round 2: 386 peptides, 23 chains. Longest chain 68 peptides. Score 0.748 Round 3: 390 peptides, 20 chains. Longest chain 86 peptides. Score 0.769 Round 4: 376 peptides, 23 chains. Longest chain 55 peptides. Score 0.737 Round 5: 395 peptides, 23 chains. Longest chain 54 peptides. Score 0.758 Taking the results from Round 3 Last building cycle: Chain fragments will be rearranged Chains 24, Residues 370, Estimated correctness of the model 78.4 % 12 chains (302 residues) have been docked in sequence Sequence coverage is 81 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 78 A and 85 A Built loop between residues 193 A and 198 A Built loop between residues 212 A and 225 A Built loop between residues 80 B and 84 B Built loop between residues 156 B and 170 B Built loop between residues 227 B and 230 B 14 chains (390 residues) following loop building 6 chains (342 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 13203 reflections ( 99.78 % complete ) and 2914 restraints for refining 2863 atoms. Observations/parameters ratio is 1.15 ------------------------------------------------------ Cycle 46: After refmac, R = 0.3472 (Rfree = 0.000) for 2863 atoms. Found 12 (12 requested) and removed 0 (12 requested) atoms. Cycle 47: After refmac, R = 0.3192 (Rfree = 0.000) for 2863 atoms. Found 12 (12 requested) and removed 1 (12 requested) atoms. Cycle 48: After refmac, R = 0.3041 (Rfree = 0.000) for 2863 atoms. Found 12 (12 requested) and removed 1 (12 requested) atoms. Cycle 49: After refmac, R = 0.2959 (Rfree = 0.000) for 2863 atoms. TimeTaking 50.25