null Mon 24 Dec 00:48:35 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 2i51-1.7-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/2i51-1.7-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/2i51-1.7-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2i51-1.7-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/2i51-1.7-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2i51-1.7-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 00:48:40 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/2i51-1.7-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2i51-1.7-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 489 and 0 Target number of residues in the AU: 489 Target solvent content: 0.4555 Checking the provided sequence file Detected sequence length: 195 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 390 Adjusted target solvent content: 0.57 Input MTZ file: 2i51-1.7-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: 19 Cell parameters: 65.591 65.955 112.360 90.000 90.000 90.000 Input sequence file: 2i51-1.7-parrot-mrncs.fasta_lf Building free atoms model in initial map for 3120 target number of atoms Had to go as low as 0.50 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: 56.880 1.700 Wilson plot Bfac: 15.38 49462 reflections ( 90.99 % complete ) and 0 restraints for refining 3468 atoms. Observations/parameters ratio is 3.57 ------------------------------------------------------ Starting model: R = 0.3249 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2768 (Rfree = 0.000) for 3468 atoms. Found 188 (188 requested) and removed 77 (94 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.69 1.54 NCS extension: 0 residues added, 3579 seeds are put forward Round 1: 353 peptides, 17 chains. Longest chain 73 peptides. Score 0.869 Round 2: 370 peptides, 8 chains. Longest chain 133 peptides. Score 0.922 Round 3: 375 peptides, 8 chains. Longest chain 133 peptides. Score 0.925 Round 4: 370 peptides, 8 chains. Longest chain 89 peptides. Score 0.922 Round 5: 370 peptides, 9 chains. Longest chain 131 peptides. Score 0.918 Taking the results from Round 3 Chains 10, Residues 367, Estimated correctness of the model 99.6 % 8 chains (365 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 75 A Built loop between residues 90 A and 93 A Built loop between residues 134 A and 140 A Built loop between residues 173 A and 176 A Built loop between residues 134 B and 140 B Built loop between residues 172 B and 176 B 3 chains (385 residues) following loop building 2 chains (384 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 3672 restraints for refining 3643 atoms. 425 conditional restraints added. Observations/parameters ratio is 3.39 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2718 (Rfree = 0.000) for 3643 atoms. Found 158 (198 requested) and removed 58 (99 requested) atoms. Cycle 2: After refmac, R = 0.2247 (Rfree = 0.000) for 3737 atoms. Found 155 (203 requested) and removed 36 (101 requested) atoms. Cycle 3: After refmac, R = 0.2062 (Rfree = 0.000) for 3841 atoms. Found 116 (209 requested) and removed 27 (104 requested) atoms. Cycle 4: After refmac, R = 0.1934 (Rfree = 0.000) for 3918 atoms. Found 124 (213 requested) and removed 32 (106 requested) atoms. Cycle 5: After refmac, R = 0.1858 (Rfree = 0.000) for 3999 atoms. Found 96 (218 requested) and removed 42 (109 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.67 1.52 NCS extension: 6 residues added (190 deleted due to clashes), 4065 seeds are put forward Round 1: 380 peptides, 6 chains. Longest chain 171 peptides. Score 0.935 Round 2: 382 peptides, 5 chains. Longest chain 171 peptides. Score 0.939 Round 3: 381 peptides, 6 chains. Longest chain 171 peptides. Score 0.935 Round 4: 381 peptides, 6 chains. Longest chain 134 peptides. Score 0.935 Round 5: 381 peptides, 6 chains. Longest chain 170 peptides. Score 0.935 Taking the results from Round 2 Chains 7, Residues 377, Estimated correctness of the model 99.7 % 5 chains (375 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 172 A and 176 A Built loop between residues 134 B and 140 B Built loop between residues 172 B and 175 B 3 chains (386 residues) following loop building 2 chains (385 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 3882 restraints for refining 3868 atoms. 625 conditional restraints added. Observations/parameters ratio is 3.20 ------------------------------------------------------ Cycle 6: After refmac, R = 0.1992 (Rfree = 0.000) for 3868 atoms. Found 154 (210 requested) and removed 62 (105 requested) atoms. Cycle 7: After refmac, R = 0.1855 (Rfree = 0.000) for 3955 atoms. Found 124 (215 requested) and removed 33 (107 requested) atoms. Cycle 8: After refmac, R = 0.1777 (Rfree = 0.000) for 4041 atoms. Found 124 (220 requested) and removed 34 (110 requested) atoms. Cycle 9: After refmac, R = 0.1740 (Rfree = 0.000) for 4124 atoms. Found 92 (224 requested) and removed 50 (112 requested) atoms. Cycle 10: After refmac, R = 0.1705 (Rfree = 0.000) for 4153 atoms. Found 111 (221 requested) and removed 47 (113 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.68 1.53 NCS extension: 6 residues added (186 deleted due to clashes), 4227 seeds are put forward Round 1: 382 peptides, 5 chains. Longest chain 170 peptides. Score 0.939 Round 2: 381 peptides, 6 chains. Longest chain 170 peptides. Score 0.935 Round 3: 382 peptides, 5 chains. Longest chain 170 peptides. Score 0.939 Round 4: 376 peptides, 7 chains. Longest chain 127 peptides. Score 0.929 Round 5: 379 peptides, 6 chains. Longest chain 134 peptides. Score 0.934 Taking the results from Round 3 Chains 8, Residues 377, Estimated correctness of the model 99.7 % 5 chains (373 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 173 A and 176 A Built loop between residues 134 B and 139 B Built loop between residues 171 B and 176 B 4 chains (385 residues) following loop building 2 chains (383 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 3978 restraints for refining 3940 atoms. 734 conditional restraints added. Observations/parameters ratio is 3.14 ------------------------------------------------------ Cycle 11: After refmac, R = 0.1920 (Rfree = 0.000) for 3940 atoms. Found 169 (210 requested) and removed 52 (107 requested) atoms. Cycle 12: After refmac, R = 0.1824 (Rfree = 0.000) for 4049 atoms. Found 104 (216 requested) and removed 41 (110 requested) atoms. Cycle 13: After refmac, R = 0.1751 (Rfree = 0.000) for 4101 atoms. Found 89 (219 requested) and removed 34 (111 requested) atoms. Cycle 14: After refmac, R = 0.1715 (Rfree = 0.000) for 4147 atoms. Found 85 (221 requested) and removed 49 (113 requested) atoms. Cycle 15: After refmac, R = 0.1684 (Rfree = 0.000) for 4173 atoms. Found 112 (218 requested) and removed 49 (113 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.67 1.52 NCS extension: 6 residues added (188 deleted due to clashes), 4246 seeds are put forward Round 1: 382 peptides, 5 chains. Longest chain 172 peptides. Score 0.939 Round 2: 381 peptides, 6 chains. Longest chain 172 peptides. Score 0.935 Round 3: 382 peptides, 5 chains. Longest chain 172 peptides. Score 0.939 Round 4: 381 peptides, 6 chains. Longest chain 172 peptides. Score 0.935 Round 5: 379 peptides, 7 chains. Longest chain 112 peptides. Score 0.931 Taking the results from Round 3 Chains 7, Residues 377, Estimated correctness of the model 99.7 % 5 chains (375 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 173 A and 177 A Built loop between residues 133 B and 139 B Built loop between residues 172 B and 175 B 3 chains (386 residues) following loop building 2 chains (385 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 3993 restraints for refining 3964 atoms. 738 conditional restraints added. Observations/parameters ratio is 3.12 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1909 (Rfree = 0.000) for 3964 atoms. Found 174 (206 requested) and removed 52 (107 requested) atoms. Cycle 17: After refmac, R = 0.1789 (Rfree = 0.000) for 4077 atoms. Found 110 (213 requested) and removed 41 (111 requested) atoms. Cycle 18: After refmac, R = 0.1729 (Rfree = 0.000) for 4136 atoms. Found 103 (216 requested) and removed 29 (112 requested) atoms. Cycle 19: After refmac, R = 0.1690 (Rfree = 0.000) for 4201 atoms. Found 116 (220 requested) and removed 39 (114 requested) atoms. Cycle 20: After refmac, R = 0.1673 (Rfree = 0.000) for 4266 atoms. Found 114 (223 requested) and removed 42 (116 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.68 1.53 NCS extension: 0 residues added, 4342 seeds are put forward Round 1: 382 peptides, 5 chains. Longest chain 170 peptides. Score 0.939 Round 2: 376 peptides, 6 chains. Longest chain 169 peptides. Score 0.933 Round 3: 381 peptides, 5 chains. Longest chain 169 peptides. Score 0.939 Round 4: 380 peptides, 6 chains. Longest chain 170 peptides. Score 0.935 Round 5: 381 peptides, 5 chains. Longest chain 170 peptides. Score 0.939 Taking the results from Round 5 Chains 6, Residues 376, Estimated correctness of the model 99.7 % 5 chains (375 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 173 A and 176 A Built loop between residues 134 B and 140 B Built loop between residues 172 B and 175 B 3 chains (385 residues) following loop building 2 chains (384 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 4081 restraints for refining 4010 atoms. 832 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1908 (Rfree = 0.000) for 4010 atoms. Found 176 (209 requested) and removed 62 (109 requested) atoms. Cycle 22: After refmac, R = 0.1787 (Rfree = 0.000) for 4115 atoms. Found 92 (215 requested) and removed 37 (112 requested) atoms. Cycle 23: After refmac, R = 0.1718 (Rfree = 0.000) for 4163 atoms. Found 87 (218 requested) and removed 31 (113 requested) atoms. Cycle 24: After refmac, R = 0.1680 (Rfree = 0.000) for 4209 atoms. Found 106 (220 requested) and removed 40 (114 requested) atoms. Cycle 25: After refmac, R = 0.1672 (Rfree = 0.000) for 4265 atoms. Found 105 (223 requested) and removed 59 (116 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.68 1.53 NCS extension: 1 residues added (2 deleted due to clashes), 4315 seeds are put forward Round 1: 380 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 2: 379 peptides, 6 chains. Longest chain 170 peptides. Score 0.934 Round 3: 380 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 4: 379 peptides, 6 chains. Longest chain 134 peptides. Score 0.934 Round 5: 378 peptides, 6 chains. Longest chain 134 peptides. Score 0.934 Taking the results from Round 3 Chains 8, Residues 375, Estimated correctness of the model 99.7 % 5 chains (372 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 173 A and 177 A Built loop between residues 134 B and 141 B Built loop between residues 173 B and 176 B 4 chains (385 residues) following loop building 2 chains (383 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 4029 restraints for refining 3998 atoms. 785 conditional restraints added. Observations/parameters ratio is 3.09 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1895 (Rfree = 0.000) for 3998 atoms. Found 188 (204 requested) and removed 48 (108 requested) atoms. Cycle 27: After refmac, R = 0.1798 (Rfree = 0.000) for 4130 atoms. Found 113 (211 requested) and removed 45 (112 requested) atoms. Cycle 28: After refmac, R = 0.1732 (Rfree = 0.000) for 4189 atoms. Found 104 (214 requested) and removed 53 (114 requested) atoms. Cycle 29: After refmac, R = 0.1699 (Rfree = 0.000) for 4237 atoms. Found 96 (212 requested) and removed 56 (115 requested) atoms. Cycle 30: After refmac, R = 0.1699 (Rfree = 0.000) for 4261 atoms. Found 119 (209 requested) and removed 67 (116 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.68 1.53 NCS extension: 5 residues added (189 deleted due to clashes), 4321 seeds are put forward Round 1: 380 peptides, 5 chains. Longest chain 169 peptides. Score 0.938 Round 2: 379 peptides, 6 chains. Longest chain 170 peptides. Score 0.934 Round 3: 380 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 4: 380 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 5: 379 peptides, 6 chains. Longest chain 170 peptides. Score 0.934 Taking the results from Round 4 Chains 6, Residues 375, Estimated correctness of the model 99.7 % 5 chains (374 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 173 A and 176 A Built loop between residues 134 B and 140 B Built loop between residues 172 B and 175 B 3 chains (384 residues) following loop building 2 chains (383 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 4057 restraints for refining 3988 atoms. 816 conditional restraints added. Observations/parameters ratio is 3.10 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1947 (Rfree = 0.000) for 3988 atoms. Found 174 (191 requested) and removed 53 (108 requested) atoms. Cycle 32: After refmac, R = 0.1818 (Rfree = 0.000) for 4099 atoms. Found 128 (196 requested) and removed 32 (111 requested) atoms. Cycle 33: After refmac, R = 0.1761 (Rfree = 0.000) for 4187 atoms. Found 108 (201 requested) and removed 37 (114 requested) atoms. Cycle 34: After refmac, R = 0.1717 (Rfree = 0.000) for 4248 atoms. Found 92 (203 requested) and removed 48 (115 requested) atoms. Cycle 35: After refmac, R = 0.1687 (Rfree = 0.000) for 4284 atoms. Found 105 (200 requested) and removed 55 (116 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.68 1.53 NCS extension: 0 residues added, 4337 seeds are put forward Round 1: 381 peptides, 5 chains. Longest chain 170 peptides. Score 0.939 Round 2: 379 peptides, 6 chains. Longest chain 169 peptides. Score 0.934 Round 3: 380 peptides, 5 chains. Longest chain 169 peptides. Score 0.938 Round 4: 379 peptides, 6 chains. Longest chain 169 peptides. Score 0.934 Round 5: 379 peptides, 7 chains. Longest chain 113 peptides. Score 0.931 Taking the results from Round 1 Chains 8, Residues 376, Estimated correctness of the model 99.7 % 5 chains (372 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 172 A and 175 A Built loop between residues 133 B and 142 B Built loop between residues 172 B and 176 B 3 chains (386 residues) following loop building 2 chains (385 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 4155 restraints for refining 4049 atoms. 898 conditional restraints added. Observations/parameters ratio is 3.05 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1928 (Rfree = 0.000) for 4049 atoms. Found 173 (185 requested) and removed 53 (110 requested) atoms. Cycle 37: After refmac, R = 0.1812 (Rfree = 0.000) for 4156 atoms. Found 109 (190 requested) and removed 39 (113 requested) atoms. Cycle 38: After refmac, R = 0.1754 (Rfree = 0.000) for 4218 atoms. Found 97 (193 requested) and removed 34 (115 requested) atoms. Cycle 39: After refmac, R = 0.1714 (Rfree = 0.000) for 4274 atoms. Found 92 (196 requested) and removed 36 (116 requested) atoms. Cycle 40: After refmac, R = 0.1689 (Rfree = 0.000) for 4317 atoms. Found 92 (197 requested) and removed 53 (117 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.68 1.53 NCS extension: 0 residues added, 4357 seeds are put forward Round 1: 380 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 2: 378 peptides, 6 chains. Longest chain 169 peptides. Score 0.934 Round 3: 379 peptides, 5 chains. Longest chain 169 peptides. Score 0.938 Round 4: 378 peptides, 6 chains. Longest chain 169 peptides. Score 0.934 Round 5: 377 peptides, 7 chains. Longest chain 113 peptides. Score 0.929 Taking the results from Round 3 Chains 5, Residues 374, Estimated correctness of the model 99.7 % 5 chains (374 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 172 A and 175 A Built loop between residues 133 B and 141 B Built loop between residues 172 B and 175 B 2 chains (385 residues) following loop building 2 chains (385 residues) in sequence following loop building ------------------------------------------------------ 49462 reflections ( 90.99 % complete ) and 4109 restraints for refining 4010 atoms. 855 conditional restraints added. Observations/parameters ratio is 3.08 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1924 (Rfree = 0.000) for 4010 atoms. Found 179 (179 requested) and removed 50 (109 requested) atoms. Cycle 42: After refmac, R = 0.1809 (Rfree = 0.000) for 4127 atoms. Found 132 (184 requested) and removed 38 (112 requested) atoms. Cycle 43: After refmac, R = 0.1761 (Rfree = 0.000) for 4215 atoms. Found 115 (188 requested) and removed 50 (114 requested) atoms. Cycle 44: After refmac, R = 0.1741 (Rfree = 0.000) for 4273 atoms. Found 108 (191 requested) and removed 46 (116 requested) atoms. Cycle 45: After refmac, R = 0.1703 (Rfree = 0.000) for 4329 atoms. Found 85 (193 requested) and removed 56 (117 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.68 1.53 NCS extension: 1 residues added (2 deleted due to clashes), 4360 seeds are put forward Round 1: 380 peptides, 5 chains. Longest chain 171 peptides. Score 0.938 Round 2: 378 peptides, 6 chains. Longest chain 170 peptides. Score 0.934 Round 3: 379 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 4: 379 peptides, 5 chains. Longest chain 170 peptides. Score 0.938 Round 5: 379 peptides, 6 chains. Longest chain 170 peptides. Score 0.934 Taking the results from Round 4 Last building cycle: Chain fragments will be rearranged Chains 6, Residues 374, Estimated correctness of the model 99.7 % 5 chains (373 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 173 A and 176 A Built loop between residues 134 B and 141 B Built loop between residues 172 B and 175 B 3 chains (384 residues) following loop building 2 chains (383 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 49462 reflections ( 90.99 % complete ) and 3241 restraints for refining 3145 atoms. Observations/parameters ratio is 3.93 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2707 (Rfree = 0.000) for 3145 atoms. Found 137 (137 requested) and removed 0 (137 requested) atoms. Cycle 47: After refmac, R = 0.2406 (Rfree = 0.000) for 3145 atoms. Found 67 (142 requested) and removed 1 (89 requested) atoms. Cycle 48: After refmac, R = 0.2204 (Rfree = 0.000) for 3145 atoms. Found 33 (146 requested) and removed 2 (91 requested) atoms. Cycle 49: After refmac, R = 0.2087 (Rfree = 0.000) for 3145 atoms. Found 16 (146 requested) and removed 8 (91 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 01:55:31 GMT 2018 Job finished. TimeTaking 66.94 Used memory is bytes: 19913792