null Sun 23 Dec 22:22:56 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 2i5i-1.7-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2i5i-1.7-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2i5i-1.7-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2i5i-1.7-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/2i5i-1.7-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2i5i-1.7-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 22:23:06 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/2i5i-1.7-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2i5i-1.7-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 525 and 0 Target number of residues in the AU: 525 Target solvent content: 0.4948 Checking the provided sequence file Detected sequence length: 263 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 526 Adjusted target solvent content: 0.49 Input MTZ file: 2i5i-1.7-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: 146 Cell parameters: 130.530 130.530 85.760 90.000 90.000 120.000 Input sequence file: 2i5i-1.7-parrot-hancs.fasta_lf Building free atoms model in initial map for 4208 target number of atoms Had to go as low as 0.55 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 1 REFMAC cycle(s) with 1.0 1.0 fractional shifts damping in each cycle. Conditional restraints will be used Weight for restraints is set to AUTO Solvent mask correction will be used Anisotropic scaling with no bulk solvent correction Model Building Parameters Main chain tracing will take place every 5 refinement / model update cycles. Side chain docking will be performed from autobuilding cycle number 1 NCS extension will be performed at every building cycle. NCS restraints will be applied at each refinement cycle. Loops will be built when appropriate and at the last cycle Resolution range: 29.446 1.701 Wilson plot Bfac: 22.43 59787 reflections ( 99.90 % complete ) and 0 restraints for refining 4637 atoms. Observations/parameters ratio is 3.22 ------------------------------------------------------ Starting model: R = 0.3604 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3198 (Rfree = 0.000) for 4637 atoms. Found 146 (251 requested) and removed 130 (125 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.13 2.16 NCS extension: 0 residues added, 4653 seeds are put forward Round 1: 346 peptides, 51 chains. Longest chain 13 peptides. Score 0.565 Round 2: 408 peptides, 37 chains. Longest chain 46 peptides. Score 0.779 Round 3: 433 peptides, 30 chains. Longest chain 65 peptides. Score 0.842 Round 4: 457 peptides, 27 chains. Longest chain 45 peptides. Score 0.874 Round 5: 445 peptides, 25 chains. Longest chain 71 peptides. Score 0.874 Taking the results from Round 5 Chains 31, Residues 420, Estimated correctness of the model 99.1 % 8 chains (275 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 228 A and 238 A Built loop between residues 131 B and 136 B 29 chains (433 residues) following loop building 6 chains (288 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 6143 restraints for refining 4488 atoms. 3279 conditional restraints added. Observations/parameters ratio is 3.33 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3242 (Rfree = 0.000) for 4488 atoms. Found 161 (243 requested) and removed 107 (121 requested) atoms. Cycle 2: After refmac, R = 0.2979 (Rfree = 0.000) for 4524 atoms. Found 113 (241 requested) and removed 42 (123 requested) atoms. Cycle 3: After refmac, R = 0.2810 (Rfree = 0.000) for 4580 atoms. Found 99 (244 requested) and removed 28 (124 requested) atoms. Cycle 4: After refmac, R = 0.2694 (Rfree = 0.000) for 4634 atoms. Found 75 (247 requested) and removed 19 (126 requested) atoms. Cycle 5: After refmac, R = 0.2604 (Rfree = 0.000) for 4677 atoms. Found 71 (249 requested) and removed 11 (127 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.97 2.00 NCS extension: 17 residues added (78 deleted due to clashes), 4769 seeds are put forward Round 1: 449 peptides, 24 chains. Longest chain 62 peptides. Score 0.880 Round 2: 462 peptides, 22 chains. Longest chain 64 peptides. Score 0.896 Round 3: 467 peptides, 20 chains. Longest chain 75 peptides. Score 0.906 Round 4: 473 peptides, 17 chains. Longest chain 71 peptides. Score 0.918 Round 5: 477 peptides, 23 chains. Longest chain 62 peptides. Score 0.901 Taking the results from Round 4 Chains 22, Residues 456, Estimated correctness of the model 99.6 % 10 chains (389 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 23 A and 26 A Built loop between residues 79 A and 89 A Built loop between residues 75 B and 78 B Built loop between residues 94 B and 98 B Built loop between residues 227 B and 235 B 14 chains (470 residues) following loop building 5 chains (412 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 5436 restraints for refining 4776 atoms. 1855 conditional restraints added. Observations/parameters ratio is 3.13 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2775 (Rfree = 0.000) for 4776 atoms. Found 135 (254 requested) and removed 76 (129 requested) atoms. Cycle 7: After refmac, R = 0.2613 (Rfree = 0.000) for 4830 atoms. Found 109 (252 requested) and removed 19 (131 requested) atoms. Cycle 8: After refmac, R = 0.2506 (Rfree = 0.000) for 4911 atoms. Found 80 (256 requested) and removed 14 (133 requested) atoms. Cycle 9: After refmac, R = 0.2429 (Rfree = 0.000) for 4966 atoms. Found 67 (259 requested) and removed 10 (135 requested) atoms. Cycle 10: After refmac, R = 0.2354 (Rfree = 0.000) for 5015 atoms. Found 70 (261 requested) and removed 22 (136 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.95 1.98 NCS extension: 5 residues added (31 deleted due to clashes), 5075 seeds are put forward Round 1: 482 peptides, 17 chains. Longest chain 130 peptides. Score 0.923 Round 2: 493 peptides, 11 chains. Longest chain 156 peptides. Score 0.943 Round 3: 487 peptides, 13 chains. Longest chain 155 peptides. Score 0.936 Round 4: 486 peptides, 11 chains. Longest chain 155 peptides. Score 0.941 Round 5: 496 peptides, 10 chains. Longest chain 106 peptides. Score 0.947 Taking the results from Round 5 Chains 12, Residues 486, Estimated correctness of the model 99.8 % 9 chains (478 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 85 A and 88 A Built loop between residues 116 A and 119 A Built loop between residues 159 A and 166 A Built loop between residues 198 A and 207 A Built loop between residues 110 B and 113 B Built loop between residues 161 B and 171 B Built loop between residues 198 B and 204 B 3 chains (515 residues) following loop building 2 chains (512 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 4857 restraints for refining 5089 atoms. 675 conditional restraints added. Observations/parameters ratio is 2.94 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2590 (Rfree = 0.000) for 5089 atoms. Found 143 (265 requested) and removed 101 (138 requested) atoms. Cycle 12: After refmac, R = 0.2450 (Rfree = 0.000) for 5122 atoms. Found 99 (261 requested) and removed 31 (139 requested) atoms. Cycle 13: After refmac, R = 0.2347 (Rfree = 0.000) for 5180 atoms. Found 78 (264 requested) and removed 16 (140 requested) atoms. Cycle 14: After refmac, R = 0.2283 (Rfree = 0.000) for 5231 atoms. Found 96 (267 requested) and removed 14 (142 requested) atoms. Cycle 15: After refmac, R = 0.2232 (Rfree = 0.000) for 5300 atoms. Found 74 (271 requested) and removed 17 (144 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.94 1.97 NCS extension: 73 residues added (186 deleted due to clashes), 5440 seeds are put forward Round 1: 498 peptides, 8 chains. Longest chain 157 peptides. Score 0.953 Round 2: 502 peptides, 10 chains. Longest chain 157 peptides. Score 0.949 Round 3: 493 peptides, 13 chains. Longest chain 141 peptides. Score 0.938 Round 4: 502 peptides, 7 chains. Longest chain 156 peptides. Score 0.956 Round 5: 499 peptides, 11 chains. Longest chain 130 peptides. Score 0.945 Taking the results from Round 4 Chains 10, Residues 495, Estimated correctness of the model 99.9 % 6 chains (483 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 160 A and 165 A Built loop between residues 29 B and 32 B Built loop between residues 160 B and 167 B 5 chains (505 residues) following loop building 3 chains (495 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 5117 restraints for refining 5185 atoms. 1039 conditional restraints added. Observations/parameters ratio is 2.88 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2410 (Rfree = 0.000) for 5185 atoms. Found 153 (264 requested) and removed 86 (140 requested) atoms. Cycle 17: After refmac, R = 0.2272 (Rfree = 0.000) for 5245 atoms. Found 85 (262 requested) and removed 17 (142 requested) atoms. Cycle 18: After refmac, R = 0.2199 (Rfree = 0.000) for 5302 atoms. Found 67 (265 requested) and removed 13 (144 requested) atoms. Cycle 19: After refmac, R = 0.2155 (Rfree = 0.000) for 5345 atoms. Found 47 (267 requested) and removed 8 (145 requested) atoms. Cycle 20: After refmac, R = 0.2117 (Rfree = 0.000) for 5375 atoms. Found 47 (269 requested) and removed 12 (146 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.94 1.97 NCS extension: 37 residues added (187 deleted due to clashes), 5451 seeds are put forward Round 1: 504 peptides, 10 chains. Longest chain 158 peptides. Score 0.950 Round 2: 510 peptides, 7 chains. Longest chain 131 peptides. Score 0.958 Round 3: 510 peptides, 7 chains. Longest chain 214 peptides. Score 0.958 Round 4: 506 peptides, 9 chains. Longest chain 170 peptides. Score 0.952 Round 5: 511 peptides, 7 chains. Longest chain 185 peptides. Score 0.959 Taking the results from Round 5 Chains 7, Residues 504, Estimated correctness of the model 99.9 % 5 chains (493 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 161 A and 166 A Built loop between residues 244 B and 247 B 5 chains (510 residues) following loop building 3 chains (499 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 5070 restraints for refining 5214 atoms. 957 conditional restraints added. Observations/parameters ratio is 2.87 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2311 (Rfree = 0.000) for 5214 atoms. Found 144 (260 requested) and removed 75 (141 requested) atoms. Cycle 22: After refmac, R = 0.2224 (Rfree = 0.000) for 5274 atoms. Found 89 (257 requested) and removed 16 (143 requested) atoms. Cycle 23: After refmac, R = 0.2148 (Rfree = 0.000) for 5339 atoms. Found 73 (261 requested) and removed 7 (145 requested) atoms. Cycle 24: After refmac, R = 0.2099 (Rfree = 0.000) for 5396 atoms. Found 60 (264 requested) and removed 14 (146 requested) atoms. Cycle 25: After refmac, R = 0.2067 (Rfree = 0.000) for 5431 atoms. Found 70 (265 requested) and removed 15 (147 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.94 1.97 NCS extension: 2 residues added (14 deleted due to clashes), 5491 seeds are put forward Round 1: 505 peptides, 10 chains. Longest chain 158 peptides. Score 0.950 Round 2: 512 peptides, 4 chains. Longest chain 226 peptides. Score 0.965 Round 3: 505 peptides, 10 chains. Longest chain 154 peptides. Score 0.950 Round 4: 507 peptides, 8 chains. Longest chain 187 peptides. Score 0.955 Round 5: 501 peptides, 10 chains. Longest chain 155 peptides. Score 0.949 Taking the results from Round 2 Chains 5, Residues 508, Estimated correctness of the model 99.9 % 4 chains (507 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 229 A and 233 A Built loop between residues 160 B and 164 B 3 chains (514 residues) following loop building 3 chains (514 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 4994 restraints for refining 5283 atoms. 811 conditional restraints added. Observations/parameters ratio is 2.83 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2249 (Rfree = 0.000) for 5283 atoms. Found 162 (258 requested) and removed 65 (143 requested) atoms. Cycle 27: After refmac, R = 0.2160 (Rfree = 0.000) for 5364 atoms. Found 99 (263 requested) and removed 14 (146 requested) atoms. Cycle 28: After refmac, R = 0.2100 (Rfree = 0.000) for 5443 atoms. Found 81 (265 requested) and removed 15 (147 requested) atoms. Cycle 29: After refmac, R = 0.2058 (Rfree = 0.000) for 5504 atoms. Found 69 (269 requested) and removed 12 (149 requested) atoms. Cycle 30: After refmac, R = 0.2027 (Rfree = 0.000) for 5551 atoms. Found 78 (271 requested) and removed 13 (150 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.93 1.96 NCS extension: 0 residues added, 5617 seeds are put forward Round 1: 510 peptides, 7 chains. Longest chain 160 peptides. Score 0.958 Round 2: 511 peptides, 8 chains. Longest chain 130 peptides. Score 0.956 Round 3: 510 peptides, 8 chains. Longest chain 140 peptides. Score 0.956 Round 4: 508 peptides, 9 chains. Longest chain 187 peptides. Score 0.953 Round 5: 509 peptides, 11 chains. Longest chain 140 peptides. Score 0.949 Taking the results from Round 1 Chains 7, Residues 503, Estimated correctness of the model 99.9 % 7 chains (503 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 29 A and 32 A Built loop between residues 159 A and 163 A Built loop between residues 29 B and 32 B Built loop between residues 190 B and 193 B Built loop between residues 244 B and 247 B 2 chains (514 residues) following loop building 2 chains (514 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 5069 restraints for refining 5364 atoms. 881 conditional restraints added. Observations/parameters ratio is 2.79 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2208 (Rfree = 0.000) for 5364 atoms. Found 164 (262 requested) and removed 71 (145 requested) atoms. Cycle 32: After refmac, R = 0.2120 (Rfree = 0.000) for 5447 atoms. Found 99 (266 requested) and removed 8 (148 requested) atoms. Cycle 33: After refmac, R = 0.2052 (Rfree = 0.000) for 5532 atoms. Found 66 (270 requested) and removed 12 (150 requested) atoms. Cycle 34: After refmac, R = 0.2011 (Rfree = 0.000) for 5577 atoms. Found 77 (273 requested) and removed 17 (151 requested) atoms. Cycle 35: After refmac, R = 0.1978 (Rfree = 0.000) for 5621 atoms. Found 93 (275 requested) and removed 21 (153 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.93 1.96 NCS extension: 0 residues added (3 deleted due to clashes), 5693 seeds are put forward Round 1: 511 peptides, 7 chains. Longest chain 231 peptides. Score 0.959 Round 2: 516 peptides, 4 chains. Longest chain 231 peptides. Score 0.966 Round 3: 505 peptides, 10 chains. Longest chain 181 peptides. Score 0.950 Round 4: 512 peptides, 9 chains. Longest chain 187 peptides. Score 0.954 Round 5: 515 peptides, 6 chains. Longest chain 225 peptides. Score 0.962 Taking the results from Round 2 Chains 5, Residues 512, Estimated correctness of the model 99.9 % 4 chains (510 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 29 A and 32 A Built loop between residues 190 B and 193 B 3 chains (516 residues) following loop building 2 chains (514 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 5097 restraints for refining 5434 atoms. 898 conditional restraints added. Observations/parameters ratio is 2.75 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2175 (Rfree = 0.000) for 5434 atoms. Found 188 (265 requested) and removed 69 (147 requested) atoms. Cycle 37: After refmac, R = 0.2085 (Rfree = 0.000) for 5542 atoms. Found 104 (271 requested) and removed 24 (150 requested) atoms. Cycle 38: After refmac, R = 0.2025 (Rfree = 0.000) for 5607 atoms. Found 90 (274 requested) and removed 22 (152 requested) atoms. Cycle 39: After refmac, R = 0.1980 (Rfree = 0.000) for 5666 atoms. Found 75 (277 requested) and removed 20 (154 requested) atoms. Cycle 40: After refmac, R = 0.1948 (Rfree = 0.000) for 5717 atoms. Found 77 (279 requested) and removed 26 (155 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.93 1.96 NCS extension: 57 residues added (201 deleted due to clashes), 5827 seeds are put forward Round 1: 512 peptides, 8 chains. Longest chain 232 peptides. Score 0.957 Round 2: 512 peptides, 7 chains. Longest chain 154 peptides. Score 0.959 Round 3: 510 peptides, 9 chains. Longest chain 185 peptides. Score 0.954 Round 4: 511 peptides, 8 chains. Longest chain 156 peptides. Score 0.956 Round 5: 504 peptides, 11 chains. Longest chain 155 peptides. Score 0.947 Taking the results from Round 2 Chains 7, Residues 505, Estimated correctness of the model 99.9 % 6 chains (493 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 65 A and 68 A Built loop between residues 29 B and 32 B Built loop between residues 184 B and 187 B 4 chains (511 residues) following loop building 3 chains (499 residues) in sequence following loop building ------------------------------------------------------ 59787 reflections ( 99.90 % complete ) and 5362 restraints for refining 5491 atoms. 1238 conditional restraints added. Observations/parameters ratio is 2.72 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2158 (Rfree = 0.000) for 5491 atoms. Found 213 (268 requested) and removed 74 (149 requested) atoms. Cycle 42: After refmac, R = 0.2059 (Rfree = 0.000) for 5624 atoms. Found 120 (274 requested) and removed 22 (152 requested) atoms. Cycle 43: After refmac, R = 0.1984 (Rfree = 0.000) for 5717 atoms. Found 85 (279 requested) and removed 26 (155 requested) atoms. Cycle 44: After refmac, R = 0.1938 (Rfree = 0.000) for 5768 atoms. Found 88 (282 requested) and removed 26 (156 requested) atoms. Cycle 45: After refmac, R = 0.1911 (Rfree = 0.000) for 5824 atoms. Found 84 (284 requested) and removed 34 (158 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.93 1.96 NCS extension: 5 residues added (24 deleted due to clashes), 5880 seeds are put forward Round 1: 509 peptides, 9 chains. Longest chain 130 peptides. Score 0.953 Round 2: 510 peptides, 6 chains. Longest chain 157 peptides. Score 0.961 Round 3: 509 peptides, 10 chains. Longest chain 160 peptides. Score 0.951 Round 4: 510 peptides, 8 chains. Longest chain 157 peptides. Score 0.956 Round 5: 499 peptides, 13 chains. Longest chain 130 peptides. Score 0.940 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 7, Residues 504, Estimated correctness of the model 99.9 % 6 chains (501 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 63 A and 66 A Built loop between residues 185 A and 192 A Built loop between residues 160 B and 164 B Built loop between residues 202 B and 205 B 3 chains (517 residues) following loop building 2 chains (514 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 59787 reflections ( 99.90 % complete ) and 4200 restraints for refining 4117 atoms. Observations/parameters ratio is 3.63 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2751 (Rfree = 0.000) for 4117 atoms. Found 60 (201 requested) and removed 0 (201 requested) atoms. Cycle 47: After refmac, R = 0.2594 (Rfree = 0.000) for 4117 atoms. Found 20 (204 requested) and removed 0 (113 requested) atoms. Cycle 48: After refmac, R = 0.2505 (Rfree = 0.000) for 4117 atoms. Found 10 (205 requested) and removed 1 (114 requested) atoms. Cycle 49: After refmac, R = 0.2457 (Rfree = 0.000) for 4117 atoms. Found 4 (205 requested) and removed 1 (114 requested) atoms. Writing output files ... Normal termination of warpNtrace Sun 23 Dec 23:57:35 GMT 2018 Job finished. TimeTaking 94.66 Used memory is bytes: 14631864