Sun 23 Dec 23:59:17 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 1vp7-3.0-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/1vp7-3.0-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/1vp7-3.0-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp7-3.0-parrot-mrncs 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/mrncs/ArpWArp/wArpResults/WorkingDir/1vp7-3.0-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp7-3.0-parrot-mrncs ############### 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 23:59:22 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/mrncs/ArpWArp/wArpResults/WorkingDir/1vp7-3.0-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vp7-3.0-parrot-mrncs/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 625 and 0 Target number of residues in the AU: 625 Target solvent content: 0.5057 Checking the provided sequence file Detected sequence length: 100 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 6 Adjusted target number of residues: 600 Adjusted target solvent content: 0.53 Input MTZ file: 1vp7-3.0-parrot-mrncs.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: 177 Cell parameters: 106.979 106.979 207.138 90.000 90.000 120.000 Input sequence file: 1vp7-3.0-parrot-mrncs.fasta_lf Building free atoms model in initial map for 4800 target number of atoms Had to go as low as 0.60 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: 207.138 3.000 Wilson plot Bfac: 24.67 14741 reflections ( 99.77 % complete ) and 0 restraints for refining 5298 atoms. Observations/parameters ratio is 0.70 ------------------------------------------------------ Starting model: R = 0.3076 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2724 (Rfree = 0.000) for 5298 atoms. Found 57 (57 requested) and removed 64 (28 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.49 2.39 Search for helices and strands: 0 residues in 0 chains, 5428 seeds are put forward NCS extension: 0 residues added, 5428 seeds are put forward Round 1: 294 peptides, 35 chains. Longest chain 36 peptides. Score 0.554 Round 2: 339 peptides, 33 chains. Longest chain 21 peptides. Score 0.650 Round 3: 362 peptides, 18 chains. Longest chain 66 peptides. Score 0.782 Round 4: 355 peptides, 22 chains. Longest chain 41 peptides. Score 0.749 Round 5: 355 peptides, 22 chains. Longest chain 40 peptides. Score 0.749 Taking the results from Round 3 Chains 20, Residues 344, Estimated correctness of the model 84.2 % 9 chains (273 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 E and 64 E 18 chains (347 residues) following loop building 8 chains (277 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 6005 restraints for refining 4403 atoms. 3548 conditional restraints added. Observations/parameters ratio is 0.84 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2832 (Rfree = 0.000) for 4403 atoms. Found 47 (47 requested) and removed 55 (23 requested) atoms. Cycle 2: After refmac, R = 0.2757 (Rfree = 0.000) for 4282 atoms. Found 36 (46 requested) and removed 48 (23 requested) atoms. Cycle 3: After refmac, R = 0.2771 (Rfree = 0.000) for 4212 atoms. Found 44 (44 requested) and removed 50 (23 requested) atoms. Cycle 4: After refmac, R = 0.2561 (Rfree = 0.000) for 4154 atoms. Found 37 (42 requested) and removed 25 (22 requested) atoms. Cycle 5: After refmac, R = 0.2452 (Rfree = 0.000) for 4125 atoms. Found 20 (40 requested) and removed 24 (22 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.51 2.41 Search for helices and strands: 0 residues in 0 chains, 4279 seeds are put forward NCS extension: 5 residues added (2 deleted due to clashes), 4284 seeds are put forward Round 1: 348 peptides, 19 chains. Longest chain 66 peptides. Score 0.760 Round 2: 371 peptides, 21 chains. Longest chain 65 peptides. Score 0.774 Round 3: 371 peptides, 23 chains. Longest chain 51 peptides. Score 0.762 Round 4: 367 peptides, 22 chains. Longest chain 37 peptides. Score 0.763 Round 5: 370 peptides, 23 chains. Longest chain 50 peptides. Score 0.761 Taking the results from Round 2 Chains 22, Residues 350, Estimated correctness of the model 83.1 % 9 chains (281 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 47 C and 55 C 21 chains (357 residues) following loop building 8 chains (288 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5651 restraints for refining 4179 atoms. 3124 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2666 (Rfree = 0.000) for 4179 atoms. Found 40 (40 requested) and removed 46 (22 requested) atoms. Cycle 7: After refmac, R = 0.2506 (Rfree = 0.000) for 4138 atoms. Found 19 (40 requested) and removed 34 (22 requested) atoms. Cycle 8: After refmac, R = 0.2341 (Rfree = 0.000) for 4103 atoms. Found 25 (38 requested) and removed 28 (22 requested) atoms. Cycle 9: After refmac, R = 0.2301 (Rfree = 0.000) for 4081 atoms. Found 20 (37 requested) and removed 26 (22 requested) atoms. Cycle 10: After refmac, R = 0.2229 (Rfree = 0.000) for 4065 atoms. Found 17 (35 requested) and removed 24 (21 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.52 2.42 Search for helices and strands: 0 residues in 0 chains, 4194 seeds are put forward NCS extension: 25 residues added (24 deleted due to clashes), 4219 seeds are put forward Round 1: 366 peptides, 19 chains. Longest chain 67 peptides. Score 0.780 Round 2: 379 peptides, 18 chains. Longest chain 67 peptides. Score 0.799 Round 3: 379 peptides, 22 chains. Longest chain 68 peptides. Score 0.777 Round 4: 374 peptides, 19 chains. Longest chain 60 peptides. Score 0.789 Round 5: 368 peptides, 25 chains. Longest chain 44 peptides. Score 0.746 Taking the results from Round 2 Chains 20, Residues 361, Estimated correctness of the model 86.3 % 11 chains (324 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 48 A and 53 A Built loop between residues 47 C and 51 C Built loop between residues 46 E and 55 E 16 chains (374 residues) following loop building 8 chains (339 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5019 restraints for refining 4197 atoms. 2242 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2489 (Rfree = 0.000) for 4197 atoms. Found 36 (36 requested) and removed 50 (22 requested) atoms. Cycle 12: After refmac, R = 0.2286 (Rfree = 0.000) for 4162 atoms. Found 30 (35 requested) and removed 26 (22 requested) atoms. Cycle 13: After refmac, R = 0.2193 (Rfree = 0.000) for 4153 atoms. Found 27 (33 requested) and removed 25 (22 requested) atoms. Cycle 14: After refmac, R = 0.2118 (Rfree = 0.000) for 4141 atoms. Found 18 (33 requested) and removed 23 (22 requested) atoms. Cycle 15: After refmac, R = 0.2098 (Rfree = 0.000) for 4115 atoms. Found 28 (32 requested) and removed 23 (22 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.55 2.45 Search for helices and strands: 0 residues in 0 chains, 4274 seeds are put forward NCS extension: 33 residues added (42 deleted due to clashes), 4307 seeds are put forward Round 1: 368 peptides, 19 chains. Longest chain 44 peptides. Score 0.782 Round 2: 376 peptides, 21 chains. Longest chain 61 peptides. Score 0.779 Round 3: 379 peptides, 24 chains. Longest chain 40 peptides. Score 0.765 Round 4: 374 peptides, 22 chains. Longest chain 45 peptides. Score 0.771 Round 5: 373 peptides, 20 chains. Longest chain 70 peptides. Score 0.782 Taking the results from Round 5 Chains 23, Residues 353, Estimated correctness of the model 84.2 % 11 chains (281 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 28 B and 31 B Built loop between residues 59 B and 65 B Built loop between residues 47 E and 54 E 19 chains (361 residues) following loop building 8 chains (294 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5564 restraints for refining 4183 atoms. 2989 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2563 (Rfree = 0.000) for 4183 atoms. Found 31 (31 requested) and removed 49 (22 requested) atoms. Cycle 17: After refmac, R = 0.2352 (Rfree = 0.000) for 4150 atoms. Found 30 (30 requested) and removed 31 (22 requested) atoms. Cycle 18: After refmac, R = 0.2264 (Rfree = 0.000) for 4140 atoms. Found 26 (29 requested) and removed 26 (22 requested) atoms. Cycle 19: After refmac, R = 0.2181 (Rfree = 0.000) for 4131 atoms. Found 13 (28 requested) and removed 29 (22 requested) atoms. Cycle 20: After refmac, R = 0.2145 (Rfree = 0.000) for 4108 atoms. Found 23 (27 requested) and removed 23 (22 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.53 2.43 Search for helices and strands: 0 residues in 0 chains, 4247 seeds are put forward NCS extension: 25 residues added (8 deleted due to clashes), 4272 seeds are put forward Round 1: 365 peptides, 21 chains. Longest chain 61 peptides. Score 0.767 Round 2: 369 peptides, 21 chains. Longest chain 44 peptides. Score 0.772 Round 3: 379 peptides, 24 chains. Longest chain 63 peptides. Score 0.765 Round 4: 376 peptides, 28 chains. Longest chain 42 peptides. Score 0.737 Round 5: 366 peptides, 26 chains. Longest chain 44 peptides. Score 0.737 Taking the results from Round 2 Chains 22, Residues 348, Estimated correctness of the model 82.8 % 10 chains (257 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 47 C and 57 C Built loop between residues 52 D and 55 D Built loop between residues 61 F and 65 F 18 chains (357 residues) following loop building 7 chains (271 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5767 restraints for refining 4189 atoms. 3296 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2455 (Rfree = 0.000) for 4189 atoms. Found 27 (27 requested) and removed 49 (22 requested) atoms. Cycle 22: After refmac, R = 0.2290 (Rfree = 0.000) for 4146 atoms. Found 22 (26 requested) and removed 28 (22 requested) atoms. Cycle 23: After refmac, R = 0.2206 (Rfree = 0.000) for 4136 atoms. Found 18 (25 requested) and removed 22 (22 requested) atoms. Cycle 24: After refmac, R = 0.2171 (Rfree = 0.000) for 4121 atoms. Found 16 (24 requested) and removed 27 (22 requested) atoms. Cycle 25: After refmac, R = 0.2133 (Rfree = 0.000) for 4104 atoms. Found 20 (23 requested) and removed 25 (22 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.53 2.43 Search for helices and strands: 0 residues in 0 chains, 4244 seeds are put forward NCS extension: 16 residues added (21 deleted due to clashes), 4260 seeds are put forward Round 1: 364 peptides, 22 chains. Longest chain 66 peptides. Score 0.760 Round 2: 365 peptides, 19 chains. Longest chain 51 peptides. Score 0.779 Round 3: 367 peptides, 20 chains. Longest chain 63 peptides. Score 0.775 Round 4: 359 peptides, 26 chains. Longest chain 43 peptides. Score 0.728 Round 5: 366 peptides, 24 chains. Longest chain 43 peptides. Score 0.750 Taking the results from Round 2 Chains 20, Residues 346, Estimated correctness of the model 83.8 % 11 chains (287 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 47 C and 51 C Built loop between residues 62 C and 65 C Built loop between residues 43 F and 53 F Built loop between residues 62 F and 65 F 15 chains (361 residues) following loop building 7 chains (303 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5291 restraints for refining 4193 atoms. 2693 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2413 (Rfree = 0.000) for 4193 atoms. Found 22 (22 requested) and removed 51 (22 requested) atoms. Cycle 27: After refmac, R = 0.2237 (Rfree = 0.000) for 4152 atoms. Found 22 (22 requested) and removed 25 (22 requested) atoms. Cycle 28: After refmac, R = 0.2139 (Rfree = 0.000) for 4140 atoms. Found 18 (22 requested) and removed 24 (22 requested) atoms. Cycle 29: After refmac, R = 0.2074 (Rfree = 0.000) for 4125 atoms. Found 17 (22 requested) and removed 26 (22 requested) atoms. Cycle 30: After refmac, R = 0.2024 (Rfree = 0.000) for 4108 atoms. Found 17 (22 requested) and removed 26 (22 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.54 2.44 Search for helices and strands: 0 residues in 0 chains, 4214 seeds are put forward NCS extension: 29 residues added (11 deleted due to clashes), 4243 seeds are put forward Round 1: 355 peptides, 15 chains. Longest chain 62 peptides. Score 0.792 Round 2: 368 peptides, 17 chains. Longest chain 70 peptides. Score 0.794 Round 3: 366 peptides, 18 chains. Longest chain 65 peptides. Score 0.786 Round 4: 365 peptides, 21 chains. Longest chain 61 peptides. Score 0.767 Round 5: 360 peptides, 22 chains. Longest chain 44 peptides. Score 0.755 Taking the results from Round 2 Chains 19, Residues 351, Estimated correctness of the model 85.7 % 10 chains (288 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 52 C and 55 C Built loop between residues 42 B and 52 B Built loop between residues 59 E and 62 E 16 chains (364 residues) following loop building 7 chains (301 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5229 restraints for refining 4162 atoms. 2628 conditional restraints added. Observations/parameters ratio is 0.89 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2334 (Rfree = 0.000) for 4162 atoms. Found 22 (22 requested) and removed 36 (22 requested) atoms. Cycle 32: After refmac, R = 0.2207 (Rfree = 0.000) for 4133 atoms. Found 22 (22 requested) and removed 28 (22 requested) atoms. Cycle 33: After refmac, R = 0.2168 (Rfree = 0.000) for 4118 atoms. Found 22 (22 requested) and removed 24 (22 requested) atoms. Cycle 34: After refmac, R = 0.2111 (Rfree = 0.000) for 4109 atoms. Found 16 (22 requested) and removed 24 (22 requested) atoms. Cycle 35: After refmac, R = 0.2109 (Rfree = 0.000) for 4094 atoms. Found 17 (22 requested) and removed 23 (22 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.55 2.45 Search for helices and strands: 0 residues in 0 chains, 4207 seeds are put forward NCS extension: 18 residues added (7 deleted due to clashes), 4225 seeds are put forward Round 1: 356 peptides, 18 chains. Longest chain 67 peptides. Score 0.775 Round 2: 363 peptides, 21 chains. Longest chain 46 peptides. Score 0.765 Round 3: 363 peptides, 24 chains. Longest chain 42 peptides. Score 0.746 Round 4: 355 peptides, 24 chains. Longest chain 70 peptides. Score 0.736 Round 5: 357 peptides, 21 chains. Longest chain 62 peptides. Score 0.758 Taking the results from Round 1 Chains 18, Residues 338, Estimated correctness of the model 83.2 % 8 chains (288 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 47 C and 51 C 17 chains (341 residues) following loop building 7 chains (291 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5322 restraints for refining 4104 atoms. 2845 conditional restraints added. Observations/parameters ratio is 0.90 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2270 (Rfree = 0.000) for 4104 atoms. Found 22 (22 requested) and removed 37 (22 requested) atoms. Cycle 37: After refmac, R = 0.2157 (Rfree = 0.000) for 4074 atoms. Found 22 (22 requested) and removed 23 (22 requested) atoms. Failed to save intermediate PDB Cycle 38: After refmac, R = 0.2072 (Rfree = 0.000) for 4063 atoms. Found 21 (21 requested) and removed 22 (21 requested) atoms. Cycle 39: After refmac, R = 0.2027 (Rfree = 0.000) for 4047 atoms. Found 21 (21 requested) and removed 23 (21 requested) atoms. Cycle 40: After refmac, R = 0.1967 (Rfree = 0.000) for 4036 atoms. Found 21 (21 requested) and removed 22 (21 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.54 2.44 Search for helices and strands: 0 residues in 0 chains, 4161 seeds are put forward NCS extension: 27 residues added (4 deleted due to clashes), 4188 seeds are put forward Round 1: 361 peptides, 21 chains. Longest chain 62 peptides. Score 0.763 Round 2: 370 peptides, 20 chains. Longest chain 67 peptides. Score 0.779 Round 3: 350 peptides, 24 chains. Longest chain 36 peptides. Score 0.730 Round 4: 350 peptides, 20 chains. Longest chain 47 peptides. Score 0.756 Round 5: 360 peptides, 22 chains. Longest chain 40 peptides. Score 0.755 Taking the results from Round 2 Chains 23, Residues 350, Estimated correctness of the model 83.8 % 9 chains (258 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 43 B and 51 B 22 chains (357 residues) following loop building 8 chains (265 residues) in sequence following loop building ------------------------------------------------------ 14741 reflections ( 99.77 % complete ) and 5492 restraints for refining 4083 atoms. 3063 conditional restraints added. Observations/parameters ratio is 0.90 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2256 (Rfree = 0.000) for 4083 atoms. Found 22 (22 requested) and removed 33 (22 requested) atoms. Cycle 42: After refmac, R = 0.2149 (Rfree = 0.000) for 4054 atoms. Found 21 (21 requested) and removed 22 (21 requested) atoms. Cycle 43: After refmac, R = 0.2062 (Rfree = 0.000) for 4049 atoms. Found 16 (21 requested) and removed 22 (21 requested) atoms. Cycle 44: After refmac, R = 0.1993 (Rfree = 0.000) for 4032 atoms. Found 9 (21 requested) and removed 21 (21 requested) atoms. Cycle 45: After refmac, R = 0.1976 (Rfree = 0.000) for 4016 atoms. Found 9 (21 requested) and removed 21 (21 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.51 2.41 Search for helices and strands: 0 residues in 0 chains, 4139 seeds are put forward NCS extension: 33 residues added (56 deleted due to clashes), 4172 seeds are put forward Round 1: 357 peptides, 18 chains. Longest chain 65 peptides. Score 0.776 Round 2: 360 peptides, 17 chains. Longest chain 65 peptides. Score 0.785 Round 3: 365 peptides, 19 chains. Longest chain 65 peptides. Score 0.779 Round 4: 369 peptides, 21 chains. Longest chain 68 peptides. Score 0.772 Round 5: 370 peptides, 23 chains. Longest chain 41 peptides. Score 0.761 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 18, Residues 343, Estimated correctness of the model 84.6 % 10 chains (303 residues) have been docked in sequence Sequence coverage is 88 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 46 C and 50 C Built loop between residues 43 B and 53 B Built loop between residues 46 F and 59 F 14 chains (361 residues) following loop building 7 chains (327 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 14741 reflections ( 99.77 % complete ) and 2686 restraints for refining 2673 atoms. Observations/parameters ratio is 1.38 ------------------------------------------------------ Cycle 46: After refmac, R = 0.3170 (Rfree = 0.000) for 2673 atoms. Found 14 (14 requested) and removed 0 (14 requested) atoms. Cycle 47: After refmac, R = 0.2974 (Rfree = 0.000) for 2673 atoms. Found 14 (14 requested) and removed 1 (14 requested) atoms. Cycle 48: After refmac, R = 0.2886 (Rfree = 0.000) for 2673 atoms. Found 11 (14 requested) and removed 2 (14 requested) atoms. Cycle 49: After refmac, R = 0.2822 (Rfree = 0.000) for 2673 atoms. TimeTaking 76.98