Tue 25 Dec 19:27:57 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 2aj7-3.2-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2aj7-3.2-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2aj7-3.2-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2aj7-3.2-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/2aj7-3.2-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2aj7-3.2-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 ============================================================ Tue 25 Dec 19:28:07 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/2aj7-3.2-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2aj7-3.2-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 415 and 0 Target number of residues in the AU: 415 Target solvent content: 0.6032 Checking the provided sequence file Detected sequence length: 163 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 326 Adjusted target solvent content: 0.69 Input MTZ file: 2aj7-3.2-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: 173 Cell parameters: 108.801 108.801 82.811 90.000 90.000 120.000 Input sequence file: 2aj7-3.2-parrot-hancs.fasta_lf Building free atoms model in initial map for 2608 target number of atoms Had to go as low as 1.10 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: 94.224 3.200 Wilson plot Bfac: 53.85 9297 reflections ( 99.95 % complete ) and 0 restraints for refining 2902 atoms. Observations/parameters ratio is 0.80 ------------------------------------------------------ Starting model: R = 0.3265 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2513 (Rfree = 0.000) for 2902 atoms. Found 26 (26 requested) and removed 28 (13 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 3.00 2.30 Search for helices and strands: 0 residues in 0 chains, 2957 seeds are put forward NCS extension: 0 residues added, 2957 seeds are put forward Round 1: 220 peptides, 28 chains. Longest chain 20 peptides. Score 0.508 Round 2: 251 peptides, 21 chains. Longest chain 30 peptides. Score 0.652 Round 3: 258 peptides, 21 chains. Longest chain 28 peptides. Score 0.665 Round 4: 261 peptides, 16 chains. Longest chain 46 peptides. Score 0.716 Round 5: 251 peptides, 17 chains. Longest chain 40 peptides. Score 0.689 Taking the results from Round 4 Chains 18, Residues 245, Estimated correctness of the model 68.5 % 5 chains (113 residues) have been docked in sequence Building loops using Loopy2018 18 chains (245 residues) following loop building 5 chains (113 residues) in sequence following loop building ------------------------------------------------------ 9297 reflections ( 99.95 % complete ) and 3696 restraints for refining 2458 atoms. 2275 conditional restraints added. Observations/parameters ratio is 0.95 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2672 (Rfree = 0.000) for 2458 atoms. Found 22 (22 requested) and removed 29 (11 requested) atoms. Cycle 2: After refmac, R = 0.2415 (Rfree = 0.000) for 2418 atoms. Found 21 (21 requested) and removed 13 (10 requested) atoms. Cycle 3: After refmac, R = 0.2290 (Rfree = 0.000) for 2411 atoms. Found 18 (20 requested) and removed 12 (10 requested) atoms. Cycle 4: After refmac, R = 0.2256 (Rfree = 0.000) for 2407 atoms. Found 10 (20 requested) and removed 10 (10 requested) atoms. Failed to save intermediate PDB Cycle 5: After refmac, R = 0.2221 (Rfree = 0.000) for 2393 atoms. Found 8 (19 requested) and removed 10 (10 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 3.03 2.32 Search for helices and strands: 0 residues in 0 chains, 2467 seeds are put forward NCS extension: 25 residues added (16 deleted due to clashes), 2492 seeds are put forward Round 1: 247 peptides, 19 chains. Longest chain 25 peptides. Score 0.663 Round 2: 264 peptides, 17 chains. Longest chain 41 peptides. Score 0.712 Round 3: 252 peptides, 15 chains. Longest chain 45 peptides. Score 0.709 Round 4: 252 peptides, 14 chains. Longest chain 47 peptides. Score 0.718 Round 5: 255 peptides, 15 chains. Longest chain 51 peptides. Score 0.714 Taking the results from Round 4 Chains 18, Residues 238, Estimated correctness of the model 68.9 % 5 chains (149 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 A and 63 A Built loop between residues 84 B and 93 B 13 chains (243 residues) following loop building 3 chains (160 residues) in sequence following loop building ------------------------------------------------------ 9297 reflections ( 99.95 % complete ) and 3239 restraints for refining 2386 atoms. 1643 conditional restraints added. Observations/parameters ratio is 0.97 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2760 (Rfree = 0.000) for 2386 atoms. Found 19 (19 requested) and removed 20 (10 requested) atoms. Failed to save intermediate PDB Cycle 7: After refmac, R = 0.2563 (Rfree = 0.000) for 2364 atoms. Found 18 (18 requested) and removed 14 (10 requested) atoms. Failed to save intermediate PDB Cycle 8: After refmac, R = 0.2448 (Rfree = 0.000) for 2360 atoms. Found 18 (18 requested) and removed 13 (10 requested) atoms. Failed to save intermediate PDB Cycle 9: After refmac, R = 0.2345 (Rfree = 0.000) for 2358 atoms. Found 18 (18 requested) and removed 12 (10 requested) atoms. Cycle 10: After refmac, R = 0.2243 (Rfree = 0.000) for 2362 atoms. Found 9 (17 requested) and removed 12 (10 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 3.02 2.31 Search for helices and strands: 0 residues in 0 chains, 2409 seeds are put forward NCS extension: 85 residues added (28 deleted due to clashes), 2494 seeds are put forward Round 1: 240 peptides, 20 chains. Longest chain 28 peptides. Score 0.640 Round 2: 262 peptides, 16 chains. Longest chain 61 peptides. Score 0.717 Round 3: 263 peptides, 15 chains. Longest chain 37 peptides. Score 0.727 Round 4: 271 peptides, 14 chains. Longest chain 48 peptides. Score 0.748 Round 5: 268 peptides, 14 chains. Longest chain 61 peptides. Score 0.743 Taking the results from Round 4 Chains 18, Residues 257, Estimated correctness of the model 74.7 % 6 chains (147 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 75 A and 78 A 17 chains (259 residues) following loop building 5 chains (149 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 9297 reflections ( 99.95 % complete ) and 3326 restraints for refining 2381 atoms. 1688 conditional restraints added. Observations/parameters ratio is 0.98 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2426 (Rfree = 0.000) for 2381 atoms. Found 17 (17 requested) and removed 18 (10 requested) atoms. Cycle 12: After refmac, R = 0.2267 (Rfree = 0.000) for 2374 atoms. Found 16 (16 requested) and removed 16 (10 requested) atoms. Cycle 13: After refmac, R = 0.2156 (Rfree = 0.000) for 2369 atoms. Found 16 (16 requested) and removed 11 (10 requested) atoms. Cycle 14: After refmac, R = 0.2117 (Rfree = 0.000) for 2371 atoms. Found 10 (16 requested) and removed 10 (10 requested) atoms. Failed to save intermediate PDB Cycle 15: After refmac, R = 0.2094 (Rfree = 0.000) for 2366 atoms. Found 15 (15 requested) and removed 10 (10 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 3.03 2.32 Search for helices and strands: 0 residues in 0 chains, 2418 seeds are put forward NCS extension: 18 residues added (39 deleted due to clashes), 2436 seeds are put forward Round 1: 263 peptides, 17 chains. Longest chain 49 peptides. Score 0.710 Round 2: 269 peptides, 13 chains. Longest chain 74 peptides. Score 0.753 Round 3: 263 peptides, 16 chains. Longest chain 38 peptides. Score 0.719 Round 4: 264 peptides, 15 chains. Longest chain 51 peptides. Score 0.729 Round 5: 264 peptides, 14 chains. Longest chain 63 peptides. Score 0.737 Taking the results from Round 2 Chains 16, Residues 256, Estimated correctness of the model 75.6 % 6 chains (184 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 129 A and 133 A 14 chains (257 residues) following loop building 5 chains (187 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 9297 reflections ( 99.95 % complete ) and 3114 restraints for refining 2381 atoms. 1322 conditional restraints added. Observations/parameters ratio is 0.98 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2236 (Rfree = 0.000) for 2381 atoms. Found 15 (15 requested) and removed 16 (10 requested) atoms. Failed to save intermediate PDB Cycle 17: After refmac, R = 0.2065 (Rfree = 0.000) for 2365 atoms. Found 14 (14 requested) and removed 12 (10 requested) atoms. Cycle 18: After refmac, R = 0.1926 (Rfree = 0.000) for 2365 atoms. Found 14 (14 requested) and removed 10 (10 requested) atoms. Cycle 19: After refmac, R = 0.1943 (Rfree = 0.000) for 2368 atoms. Found 13 (13 requested) and removed 11 (10 requested) atoms. Cycle 20: After refmac, R = 0.1865 (Rfree = 0.000) for 2370 atoms. Found 13 (13 requested) and removed 11 (10 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 3.02 2.31 Search for helices and strands: 0 residues in 0 chains, 2427 seeds are put forward NCS extension: 23 residues added (31 deleted due to clashes), 2450 seeds are put forward Round 1: 272 peptides, 16 chains. Longest chain 49 peptides. Score 0.733 Round 2: 277 peptides, 16 chains. Longest chain 51 peptides. Score 0.741 Round 3: 284 peptides, 13 chains. Longest chain 84 peptides. Score 0.775 Round 4: 279 peptides, 15 chains. Longest chain 59 peptides. Score 0.752 Round 5: 280 peptides, 17 chains. Longest chain 58 peptides. Score 0.738 Taking the results from Round 3 Chains 13, Residues 271, Estimated correctness of the model 79.4 % 5 chains (208 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 96 B and 99 B 12 chains (273 residues) following loop building 4 chains (210 residues) in sequence following loop building ------------------------------------------------------ 9297 reflections ( 99.95 % complete ) and 3055 restraints for refining 2452 atoms. 1109 conditional restraints added. Observations/parameters ratio is 0.95 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2161 (Rfree = 0.000) for 2452 atoms. Found 13 (13 requested) and removed 31 (11 requested) atoms. Cycle 22: After refmac, R = 0.2119 (Rfree = 0.000) for 2427 atoms. Found 12 (12 requested) and removed 17 (10 requested) atoms. Cycle 23: After refmac, R = 0.1924 (Rfree = 0.000) for 2417 atoms. Found 12 (12 requested) and removed 17 (10 requested) atoms. Cycle 24: After refmac, R = 0.1894 (Rfree = 0.000) for 2408 atoms. Found 11 (11 requested) and removed 12 (10 requested) atoms. Cycle 25: After refmac, R = 0.1850 (Rfree = 0.000) for 2406 atoms. Found 7 (11 requested) and removed 11 (10 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 3.02 2.31 Search for helices and strands: 0 residues in 0 chains, 2453 seeds are put forward NCS extension: 113 residues added (89 deleted due to clashes), 2566 seeds are put forward Round 1: 274 peptides, 12 chains. Longest chain 50 peptides. Score 0.768 Round 2: 285 peptides, 13 chains. Longest chain 77 peptides. Score 0.776 Round 3: 286 peptides, 11 chains. Longest chain 54 peptides. Score 0.792 Round 4: 276 peptides, 16 chains. Longest chain 50 peptides. Score 0.740 Round 5: 282 peptides, 14 chains. Longest chain 81 peptides. Score 0.764 Taking the results from Round 3 Chains 11, Residues 275, Estimated correctness of the model 82.2 % 5 chains (195 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 88 A and 94 A Built loop between residues 64 B and 68 B 9 chains (283 residues) following loop building 3 chains (203 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 9297 reflections ( 99.95 % complete ) and 2960 restraints for refining 2403 atoms. 990 conditional restraints added. Observations/parameters ratio is 0.97 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2282 (Rfree = 0.000) for 2403 atoms. Found 10 (10 requested) and removed 24 (10 requested) atoms. Failed to save intermediate PDB Cycle 27: After refmac, R = 0.2167 (Rfree = 0.000) for 2385 atoms. Found 10 (10 requested) and removed 20 (10 requested) atoms. Failed to save intermediate PDB Cycle 28: After refmac, R = 0.2115 (Rfree = 0.000) for 2374 atoms. Found 10 (10 requested) and removed 20 (10 requested) atoms. Cycle 29: After refmac, R = 0.2065 (Rfree = 0.000) for 2361 atoms. Found 10 (10 requested) and removed 13 (10 requested) atoms. Cycle 30: After refmac, R = 0.2010 (Rfree = 0.000) for 2356 atoms. Found 10 (10 requested) and removed 14 (10 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 3.00 2.30 Search for helices and strands: 0 residues in 0 chains, 2413 seeds are put forward NCS extension: 114 residues added (52 deleted due to clashes), 2527 seeds are put forward Round 1: 283 peptides, 17 chains. Longest chain 63 peptides. Score 0.742 Round 2: 283 peptides, 15 chains. Longest chain 47 peptides. Score 0.758 Round 3: 287 peptides, 13 chains. Longest chain 81 peptides. Score 0.779 Round 4: 285 peptides, 14 chains. Longest chain 50 peptides. Score 0.768 Round 5: 272 peptides, 16 chains. Longest chain 41 peptides. Score 0.733 Taking the results from Round 3 Chains 14, Residues 274, Estimated correctness of the model 80.1 % 6 chains (199 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 75 A and 78 A Built loop between residues 89 B and 94 B Built loop between residues 112 B and 116 B 10 chains (282 residues) following loop building 3 chains (208 residues) in sequence following loop building ------------------------------------------------------ 9297 reflections ( 99.95 % complete ) and 3011 restraints for refining 2396 atoms. 1019 conditional restraints added. Observations/parameters ratio is 0.97 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2184 (Rfree = 0.000) for 2396 atoms. Found 10 (10 requested) and removed 19 (10 requested) atoms. Failed to save intermediate PDB Cycle 32: After refmac, R = 0.2068 (Rfree = 0.000) for 2379 atoms. Found 10 (10 requested) and removed 16 (10 requested) atoms. Cycle 33: After refmac, R = 0.2024 (Rfree = 0.000) for 2372 atoms. Found 10 (10 requested) and removed 10 (10 requested) atoms. Failed to save intermediate PDB Cycle 34: After refmac, R = 0.1991 (Rfree = 0.000) for 2371 atoms. Found 10 (10 requested) and removed 15 (10 requested) atoms. Cycle 35: After refmac, R = 0.1959 (Rfree = 0.000) for 2366 atoms. Found 10 (10 requested) and removed 10 (10 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 3.01 2.31 Search for helices and strands: 0 residues in 0 chains, 2411 seeds are put forward NCS extension: 27 residues added (154 deleted due to clashes), 2438 seeds are put forward Round 1: 281 peptides, 10 chains. Longest chain 80 peptides. Score 0.792 Round 2: 287 peptides, 11 chains. Longest chain 65 peptides. Score 0.793 Round 3: 281 peptides, 10 chains. Longest chain 76 peptides. Score 0.792 Round 4: 276 peptides, 16 chains. Longest chain 73 peptides. Score 0.740 Round 5: 273 peptides, 14 chains. Longest chain 47 peptides. Score 0.751 Taking the results from Round 2 Chains 11, Residues 276, Estimated correctness of the model 82.3 % 7 chains (234 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 93 A and 96 A Built loop between residues 26 B and 29 B Built loop between residues 112 B and 115 B 8 chains (282 residues) following loop building 4 chains (240 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 9297 reflections ( 99.95 % complete ) and 2768 restraints for refining 2412 atoms. 648 conditional restraints added. Observations/parameters ratio is 0.96 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2083 (Rfree = 0.000) for 2412 atoms. Found 10 (10 requested) and removed 17 (10 requested) atoms. Cycle 37: After refmac, R = 0.1919 (Rfree = 0.000) for 2403 atoms. Found 10 (10 requested) and removed 16 (10 requested) atoms. Cycle 38: After refmac, R = 0.1878 (Rfree = 0.000) for 2394 atoms. Found 10 (10 requested) and removed 11 (10 requested) atoms. Cycle 39: After refmac, R = 0.1840 (Rfree = 0.000) for 2393 atoms. Found 10 (10 requested) and removed 12 (10 requested) atoms. Cycle 40: After refmac, R = 0.1778 (Rfree = 0.000) for 2390 atoms. Found 10 (10 requested) and removed 12 (10 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 3.01 2.31 Search for helices and strands: 0 residues in 0 chains, 2421 seeds are put forward NCS extension: 31 residues added (129 deleted due to clashes), 2452 seeds are put forward Round 1: 280 peptides, 11 chains. Longest chain 54 peptides. Score 0.784 Round 2: 291 peptides, 8 chains. Longest chain 83 peptides. Score 0.818 Round 3: 294 peptides, 8 chains. Longest chain 78 peptides. Score 0.822 Round 4: 285 peptides, 10 chains. Longest chain 66 peptides. Score 0.797 Round 5: 279 peptides, 14 chains. Longest chain 67 peptides. Score 0.760 Taking the results from Round 3 Chains 10, Residues 286, Estimated correctness of the model 86.6 % 6 chains (269 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 73 A and 77 A Built loop between residues 113 A and 116 A Built loop between residues 90 B and 93 B Built loop between residues 112 B and 117 B 5 chains (295 residues) following loop building 2 chains (280 residues) in sequence following loop building ------------------------------------------------------ Failed to save intermediate PDB 9297 reflections ( 99.95 % complete ) and 2595 restraints for refining 2499 atoms. 262 conditional restraints added. Observations/parameters ratio is 0.93 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1971 (Rfree = 0.000) for 2499 atoms. Found 11 (11 requested) and removed 15 (11 requested) atoms. Cycle 42: After refmac, R = 0.1786 (Rfree = 0.000) for 2488 atoms. Found 11 (11 requested) and removed 12 (11 requested) atoms. Cycle 43: After refmac, R = 0.1688 (Rfree = 0.000) for 2484 atoms. Found 11 (11 requested) and removed 14 (11 requested) atoms. Cycle 44: After refmac, R = 0.1636 (Rfree = 0.000) for 2480 atoms. Found 11 (11 requested) and removed 12 (11 requested) atoms. Cycle 45: After refmac, R = 0.1622 (Rfree = 0.000) for 2479 atoms. Found 11 (11 requested) and removed 13 (11 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.98 2.28 Search for helices and strands: 0 residues in 0 chains, 2554 seeds are put forward NCS extension: 3 residues added (9 deleted due to clashes), 2557 seeds are put forward Round 1: 279 peptides, 11 chains. Longest chain 100 peptides. Score 0.782 Round 2: 282 peptides, 10 chains. Longest chain 61 peptides. Score 0.794 Round 3: 282 peptides, 9 chains. Longest chain 103 peptides. Score 0.801 Round 4: 289 peptides, 9 chains. Longest chain 85 peptides. Score 0.809 Round 5: 284 peptides, 13 chains. Longest chain 78 peptides. Score 0.775 Taking the results from Round 4 Last building cycle: Chain fragments will be rearranged Chains 9, Residues 280, Estimated correctness of the model 84.8 % 5 chains (231 residues) have been docked in sequence Sequence coverage is 82 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 113 A and 117 A Built loop between residues 112 B and 116 B 7 chains (286 residues) following loop building 3 chains (237 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 9297 reflections ( 99.95 % complete ) and 2107 restraints for refining 2074 atoms. Observations/parameters ratio is 1.12 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2742 (Rfree = 0.000) for 2074 atoms. Found 9 (9 requested) and removed 0 (9 requested) atoms. Cycle 47: After refmac, R = 0.2552 (Rfree = 0.000) for 2074 atoms. Found 9 (9 requested) and removed 0 (9 requested) atoms. Cycle 48: After refmac, R = 0.2474 (Rfree = 0.000) for 2074 atoms. Found 9 (9 requested) and removed 2 (9 requested) atoms. Cycle 49: After refmac, R = 0.2409 (Rfree = 0.000) for 2074 atoms. Found 8 (9 requested) and removed 1 (9 requested) atoms. Writing output files ... TimeTaking 67.34