null Mon 24 Dec 00:27:22 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 2h1q-2.0-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/2h1q-2.0-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/2h1q-2.0-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2h1q-2.0-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/2h1q-2.0-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2h1q-2.0-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 ============================================================ Mon 24 Dec 00:27:28 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/2h1q-2.0-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2h1q-2.0-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 562 and 0 Target number of residues in the AU: 562 Target solvent content: 0.5196 Checking the provided sequence file Detected sequence length: 270 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 540 Adjusted target solvent content: 0.54 Input MTZ file: 2h1q-2.0-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: 169 Cell parameters: 120.720 120.720 75.240 90.000 90.000 120.000 Input sequence file: 2h1q-2.0-parrot-mrncs.fasta_lf Building free atoms model in initial map for 4320 target number of atoms Had to go as low as 0.80 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: 28.996 2.010 Wilson plot Bfac: 27.70 40362 reflections ( 96.95 % complete ) and 0 restraints for refining 4768 atoms. Observations/parameters ratio is 2.12 ------------------------------------------------------ Starting model: R = 0.3675 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3227 (Rfree = 0.000) for 4768 atoms. Found 109 (161 requested) and removed 88 (80 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.34 2.22 NCS extension: 0 residues added, 4789 seeds are put forward Round 1: 302 peptides, 43 chains. Longest chain 14 peptides. Score 0.515 Round 2: 323 peptides, 38 chains. Longest chain 23 peptides. Score 0.604 Round 3: 343 peptides, 35 chains. Longest chain 29 peptides. Score 0.664 Round 4: 374 peptides, 30 chains. Longest chain 44 peptides. Score 0.745 Round 5: 377 peptides, 31 chains. Longest chain 41 peptides. Score 0.742 Taking the results from Round 4 Chains 30, Residues 344, Estimated correctness of the model 94.1 % 10 chains (178 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 63 A and 74 A Built loop between residues 89 A and 93 A 27 chains (352 residues) following loop building 8 chains (191 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 6339 restraints for refining 4185 atoms. 4216 conditional restraints added. Observations/parameters ratio is 2.41 ------------------------------------------------------ Cycle 1: After refmac, R = 0.3407 (Rfree = 0.000) for 4185 atoms. Found 116 (141 requested) and removed 84 (70 requested) atoms. Cycle 2: After refmac, R = 0.3172 (Rfree = 0.000) for 4197 atoms. Found 89 (139 requested) and removed 73 (71 requested) atoms. Cycle 3: After refmac, R = 0.3008 (Rfree = 0.000) for 4192 atoms. Found 70 (136 requested) and removed 71 (71 requested) atoms. Cycle 4: After refmac, R = 0.2907 (Rfree = 0.000) for 4171 atoms. Found 54 (133 requested) and removed 32 (70 requested) atoms. Cycle 5: After refmac, R = 0.2815 (Rfree = 0.000) for 4187 atoms. Found 52 (130 requested) and removed 21 (70 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.21 2.10 NCS extension: 10 residues added (9 deleted due to clashes), 4238 seeds are put forward Round 1: 361 peptides, 30 chains. Longest chain 40 peptides. Score 0.727 Round 2: 372 peptides, 24 chains. Longest chain 52 peptides. Score 0.780 Round 3: 374 peptides, 21 chains. Longest chain 53 peptides. Score 0.799 Round 4: 377 peptides, 22 chains. Longest chain 41 peptides. Score 0.797 Round 5: 405 peptides, 22 chains. Longest chain 57 peptides. Score 0.825 Taking the results from Round 5 Chains 28, Residues 383, Estimated correctness of the model 97.0 % 11 chains (298 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 39 A and 46 A Built loop between residues 195 A and 199 A Built loop between residues 199 B and 202 B Built loop between residues 218 B and 224 B 24 chains (399 residues) following loop building 7 chains (314 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 5178 restraints for refining 4185 atoms. 2390 conditional restraints added. Observations/parameters ratio is 2.41 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2990 (Rfree = 0.000) for 4185 atoms. Found 112 (130 requested) and removed 76 (70 requested) atoms. Cycle 7: After refmac, R = 0.2790 (Rfree = 0.000) for 4213 atoms. Found 80 (128 requested) and removed 68 (71 requested) atoms. Cycle 8: After refmac, R = 0.2666 (Rfree = 0.000) for 4214 atoms. Found 57 (125 requested) and removed 32 (71 requested) atoms. Cycle 9: After refmac, R = 0.2587 (Rfree = 0.000) for 4230 atoms. Found 56 (123 requested) and removed 29 (71 requested) atoms. Cycle 10: After refmac, R = 0.2530 (Rfree = 0.000) for 4252 atoms. Found 51 (120 requested) and removed 26 (71 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.18 2.07 NCS extension: 18 residues added (3 deleted due to clashes), 4302 seeds are put forward Round 1: 395 peptides, 20 chains. Longest chain 67 peptides. Score 0.826 Round 2: 402 peptides, 16 chains. Longest chain 77 peptides. Score 0.851 Round 3: 400 peptides, 22 chains. Longest chain 78 peptides. Score 0.820 Round 4: 399 peptides, 22 chains. Longest chain 79 peptides. Score 0.819 Round 5: 401 peptides, 16 chains. Longest chain 89 peptides. Score 0.851 Taking the results from Round 5 Chains 25, Residues 385, Estimated correctness of the model 97.8 % 12 chains (334 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 30 A and 34 A Built loop between residues 220 A and 224 A Built loop between residues 59 B and 67 B Built loop between residues 176 B and 183 B Built loop between residues 251 B and 260 B 18 chains (406 residues) following loop building 7 chains (361 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4991 restraints for refining 4230 atoms. 1996 conditional restraints added. Observations/parameters ratio is 2.39 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2794 (Rfree = 0.000) for 4230 atoms. Found 113 (116 requested) and removed 76 (71 requested) atoms. Cycle 12: After refmac, R = 0.2549 (Rfree = 0.000) for 4259 atoms. Found 70 (115 requested) and removed 59 (72 requested) atoms. Cycle 13: After refmac, R = 0.2423 (Rfree = 0.000) for 4256 atoms. Found 47 (112 requested) and removed 45 (72 requested) atoms. Cycle 14: After refmac, R = 0.2357 (Rfree = 0.000) for 4249 atoms. Found 47 (109 requested) and removed 33 (71 requested) atoms. Cycle 15: After refmac, R = 0.2295 (Rfree = 0.000) for 4255 atoms. Found 37 (106 requested) and removed 19 (71 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.18 2.07 NCS extension: 25 residues added (98 deleted due to clashes), 4305 seeds are put forward Round 1: 401 peptides, 19 chains. Longest chain 64 peptides. Score 0.836 Round 2: 410 peptides, 16 chains. Longest chain 64 peptides. Score 0.858 Round 3: 411 peptides, 16 chains. Longest chain 72 peptides. Score 0.859 Round 4: 411 peptides, 19 chains. Longest chain 90 peptides. Score 0.845 Round 5: 412 peptides, 17 chains. Longest chain 85 peptides. Score 0.855 Taking the results from Round 3 Chains 18, Residues 395, Estimated correctness of the model 98.0 % 10 chains (350 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 220 A and 227 A Built loop between residues 61 B and 67 B Built loop between residues 159 B and 163 B Built loop between residues 179 B and 184 B 13 chains (411 residues) following loop building 6 chains (368 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4834 restraints for refining 4184 atoms. 1783 conditional restraints added. Observations/parameters ratio is 2.41 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2585 (Rfree = 0.000) for 4184 atoms. Found 102 (102 requested) and removed 75 (70 requested) atoms. Cycle 17: After refmac, R = 0.2402 (Rfree = 0.000) for 4202 atoms. Found 64 (99 requested) and removed 52 (71 requested) atoms. Cycle 18: After refmac, R = 0.2303 (Rfree = 0.000) for 4209 atoms. Found 53 (97 requested) and removed 20 (71 requested) atoms. Cycle 19: After refmac, R = 0.2239 (Rfree = 0.000) for 4236 atoms. Found 48 (97 requested) and removed 23 (71 requested) atoms. Cycle 20: After refmac, R = 0.2187 (Rfree = 0.000) for 4260 atoms. Found 37 (97 requested) and removed 16 (71 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.18 2.07 NCS extension: 22 residues added (52 deleted due to clashes), 4307 seeds are put forward Round 1: 416 peptides, 16 chains. Longest chain 84 peptides. Score 0.863 Round 2: 422 peptides, 15 chains. Longest chain 67 peptides. Score 0.871 Round 3: 415 peptides, 18 chains. Longest chain 51 peptides. Score 0.853 Round 4: 422 peptides, 15 chains. Longest chain 51 peptides. Score 0.871 Round 5: 416 peptides, 16 chains. Longest chain 94 peptides. Score 0.863 Taking the results from Round 4 Chains 16, Residues 407, Estimated correctness of the model 98.3 % 11 chains (369 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 61 A and 67 A Built loop between residues 220 A and 226 A Built loop between residues 224 B and 227 B Built loop between residues 249 B and 257 B 12 chains (426 residues) following loop building 7 chains (388 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4671 restraints for refining 4185 atoms. 1479 conditional restraints added. Observations/parameters ratio is 2.41 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2532 (Rfree = 0.000) for 4185 atoms. Found 96 (96 requested) and removed 73 (70 requested) atoms. Cycle 22: After refmac, R = 0.2350 (Rfree = 0.000) for 4202 atoms. Found 88 (94 requested) and removed 31 (71 requested) atoms. Cycle 23: After refmac, R = 0.2241 (Rfree = 0.000) for 4256 atoms. Found 64 (94 requested) and removed 28 (71 requested) atoms. Cycle 24: After refmac, R = 0.2168 (Rfree = 0.000) for 4289 atoms. Found 62 (95 requested) and removed 20 (72 requested) atoms. Cycle 25: After refmac, R = 0.2113 (Rfree = 0.000) for 4331 atoms. Found 43 (96 requested) and removed 25 (73 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.16 2.05 NCS extension: 21 residues added (87 deleted due to clashes), 4379 seeds are put forward Round 1: 426 peptides, 11 chains. Longest chain 90 peptides. Score 0.890 Round 2: 426 peptides, 14 chains. Longest chain 91 peptides. Score 0.878 Round 3: 429 peptides, 14 chains. Longest chain 92 peptides. Score 0.880 Round 4: 423 peptides, 18 chains. Longest chain 82 peptides. Score 0.859 Round 5: 435 peptides, 11 chains. Longest chain 104 peptides. Score 0.896 Taking the results from Round 5 Chains 12, Residues 424, Estimated correctness of the model 98.9 % 10 chains (417 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 225 A and 228 A Built loop between residues 248 A and 259 A Built loop between residues 45 B and 48 B Built loop between residues 61 B and 65 B 8 chains (441 residues) following loop building 6 chains (434 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4324 restraints for refining 4249 atoms. 887 conditional restraints added. Observations/parameters ratio is 2.37 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2484 (Rfree = 0.000) for 4249 atoms. Found 92 (92 requested) and removed 75 (71 requested) atoms. Cycle 27: After refmac, R = 0.2312 (Rfree = 0.000) for 4257 atoms. Found 78 (89 requested) and removed 49 (72 requested) atoms. Cycle 28: After refmac, R = 0.2204 (Rfree = 0.000) for 4283 atoms. Found 56 (86 requested) and removed 28 (72 requested) atoms. Cycle 29: After refmac, R = 0.2135 (Rfree = 0.000) for 4304 atoms. Found 65 (87 requested) and removed 30 (72 requested) atoms. Cycle 30: After refmac, R = 0.2095 (Rfree = 0.000) for 4332 atoms. Found 60 (88 requested) and removed 24 (73 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.18 2.07 NCS extension: 26 residues added (91 deleted due to clashes), 4396 seeds are put forward Round 1: 431 peptides, 14 chains. Longest chain 90 peptides. Score 0.881 Round 2: 436 peptides, 8 chains. Longest chain 121 peptides. Score 0.907 Round 3: 433 peptides, 16 chains. Longest chain 88 peptides. Score 0.875 Round 4: 434 peptides, 15 chains. Longest chain 91 peptides. Score 0.880 Round 5: 441 peptides, 12 chains. Longest chain 123 peptides. Score 0.895 Taking the results from Round 2 Chains 11, Residues 428, Estimated correctness of the model 99.1 % 7 chains (412 residues) have been docked in sequence Building loops using Loopy2018 11 chains (428 residues) following loop building 7 chains (412 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4459 restraints for refining 4199 atoms. 1160 conditional restraints added. Observations/parameters ratio is 2.40 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2302 (Rfree = 0.000) for 4199 atoms. Found 85 (85 requested) and removed 63 (70 requested) atoms. Cycle 32: After refmac, R = 0.2174 (Rfree = 0.000) for 4217 atoms. Found 82 (82 requested) and removed 19 (71 requested) atoms. Cycle 33: After refmac, R = 0.2102 (Rfree = 0.000) for 4276 atoms. Found 49 (84 requested) and removed 16 (72 requested) atoms. Cycle 34: After refmac, R = 0.2051 (Rfree = 0.000) for 4306 atoms. Found 59 (84 requested) and removed 15 (72 requested) atoms. Cycle 35: After refmac, R = 0.2004 (Rfree = 0.000) for 4347 atoms. Found 53 (85 requested) and removed 21 (73 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.17 2.06 NCS extension: 13 residues added (6 deleted due to clashes), 4393 seeds are put forward Round 1: 434 peptides, 14 chains. Longest chain 90 peptides. Score 0.883 Round 2: 439 peptides, 9 chains. Longest chain 120 peptides. Score 0.905 Round 3: 428 peptides, 14 chains. Longest chain 87 peptides. Score 0.879 Round 4: 436 peptides, 11 chains. Longest chain 120 peptides. Score 0.896 Round 5: 433 peptides, 13 chains. Longest chain 120 peptides. Score 0.887 Taking the results from Round 2 Chains 13, Residues 430, Estimated correctness of the model 99.0 % 8 chains (413 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 61 B and 65 B Built loop between residues 234 B and 240 B Built loop between residues 251 B and 258 B 8 chains (440 residues) following loop building 5 chains (427 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4339 restraints for refining 4246 atoms. 922 conditional restraints added. Observations/parameters ratio is 2.38 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2299 (Rfree = 0.000) for 4246 atoms. Found 83 (83 requested) and removed 72 (71 requested) atoms. Cycle 37: After refmac, R = 0.2174 (Rfree = 0.000) for 4251 atoms. Found 80 (80 requested) and removed 25 (71 requested) atoms. Cycle 38: After refmac, R = 0.2093 (Rfree = 0.000) for 4301 atoms. Found 58 (81 requested) and removed 25 (72 requested) atoms. Cycle 39: After refmac, R = 0.2050 (Rfree = 0.000) for 4332 atoms. Found 47 (82 requested) and removed 26 (73 requested) atoms. Cycle 40: After refmac, R = 0.2016 (Rfree = 0.000) for 4350 atoms. Found 43 (79 requested) and removed 22 (73 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.18 2.07 NCS extension: 35 residues added (50 deleted due to clashes), 4408 seeds are put forward Round 1: 433 peptides, 11 chains. Longest chain 120 peptides. Score 0.894 Round 2: 432 peptides, 12 chains. Longest chain 64 peptides. Score 0.890 Round 3: 432 peptides, 14 chains. Longest chain 88 peptides. Score 0.882 Round 4: 433 peptides, 11 chains. Longest chain 97 peptides. Score 0.894 Round 5: 432 peptides, 15 chains. Longest chain 71 peptides. Score 0.878 Taking the results from Round 4 Chains 13, Residues 422, Estimated correctness of the model 98.8 % 9 chains (402 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 224 A and 227 A Built loop between residues 251 A and 257 A Built loop between residues 60 B and 67 B Built loop between residues 225 B and 228 B 9 chains (437 residues) following loop building 5 chains (417 residues) in sequence following loop building ------------------------------------------------------ 40362 reflections ( 96.95 % complete ) and 4461 restraints for refining 4251 atoms. 1108 conditional restraints added. Observations/parameters ratio is 2.37 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2316 (Rfree = 0.000) for 4251 atoms. Found 74 (74 requested) and removed 75 (71 requested) atoms. Cycle 42: After refmac, R = 0.2170 (Rfree = 0.000) for 4248 atoms. Found 71 (71 requested) and removed 31 (71 requested) atoms. Cycle 43: After refmac, R = 0.2106 (Rfree = 0.000) for 4287 atoms. Found 66 (72 requested) and removed 23 (72 requested) atoms. Cycle 44: After refmac, R = 0.2062 (Rfree = 0.000) for 4328 atoms. Found 67 (73 requested) and removed 38 (73 requested) atoms. Cycle 45: After refmac, R = 0.2030 (Rfree = 0.000) for 4353 atoms. Found 66 (73 requested) and removed 41 (73 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.17 2.06 NCS extension: 22 residues added (79 deleted due to clashes), 4404 seeds are put forward Round 1: 433 peptides, 14 chains. Longest chain 90 peptides. Score 0.883 Round 2: 440 peptides, 10 chains. Longest chain 120 peptides. Score 0.902 Round 3: 427 peptides, 13 chains. Longest chain 85 peptides. Score 0.883 Round 4: 439 peptides, 10 chains. Longest chain 111 peptides. Score 0.902 Round 5: 432 peptides, 13 chains. Longest chain 83 peptides. Score 0.886 Taking the results from Round 4 Last building cycle: Chain fragments will be rearranged Chains 14, Residues 429, Estimated correctness of the model 99.0 % 7 chains (400 residues) have been docked in sequence Sequence coverage is 93 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 251 B and 258 B 12 chains (432 residues) following loop building 6 chains (406 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 40362 reflections ( 96.95 % complete ) and 3277 restraints for refining 3214 atoms. Observations/parameters ratio is 3.14 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2840 (Rfree = 0.000) for 3214 atoms. Found 33 (54 requested) and removed 0 (54 requested) atoms. Cycle 47: After refmac, R = 0.2720 (Rfree = 0.000) for 3214 atoms. Found 11 (54 requested) and removed 1 (54 requested) atoms. Cycle 48: After refmac, R = 0.2630 (Rfree = 0.000) for 3214 atoms. Found 8 (55 requested) and removed 3 (55 requested) atoms. Cycle 49: After refmac, R = 0.2578 (Rfree = 0.000) for 3214 atoms. Found 15 (55 requested) and removed 5 (55 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 01:35:51 GMT 2018 Job finished. TimeTaking 68.48 Used memory is bytes: 15856600