null Sun 23 Dec 22:22:41 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 1vl5-1.9-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/1vl5-1.9-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/1vl5-1.9-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1vl5-1.9-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/1vl5-1.9-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1vl5-1.9-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 22:22:50 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/1vl5-1.9-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/1vl5-1.9-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 1137 and 0 Target number of residues in the AU: 1137 Target solvent content: 0.4688 Checking the provided sequence file Detected sequence length: 260 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 4 Adjusted target number of residues: 1040 Adjusted target solvent content: 0.51 Input MTZ file: 1vl5-1.9-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: 4 Cell parameters: 64.006 87.475 105.236 90.000 100.573 90.000 Input sequence file: 1vl5-1.9-parrot-hancs.fasta_lf Building free atoms model in initial map for 8320 target number of atoms Had to go as low as 0.45 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: 49.849 1.850 Wilson plot Bfac: 17.63 94468 reflections ( 97.09 % complete ) and 0 restraints for refining 9250 atoms. Observations/parameters ratio is 2.55 ------------------------------------------------------ Starting model: R = 0.3241 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2734 (Rfree = 0.000) for 9250 atoms. Found 395 (395 requested) and removed 200 (197 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.91 1.88 NCS extension: 0 residues added, 9445 seeds are put forward Round 1: 751 peptides, 55 chains. Longest chain 86 peptides. Score 0.788 Round 2: 824 peptides, 42 chains. Longest chain 119 peptides. Score 0.859 Round 3: 866 peptides, 19 chains. Longest chain 185 peptides. Score 0.918 Round 4: 870 peptides, 19 chains. Longest chain 162 peptides. Score 0.919 Round 5: 875 peptides, 15 chains. Longest chain 165 peptides. Score 0.927 Taking the results from Round 5 Chains 18, Residues 860, Estimated correctness of the model 99.5 % 14 chains (854 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 45 A and 50 A Built loop between residues 37 C and 40 C Built loop between residues 104 C and 111 C Built loop between residues 51 B and 55 B Built loop between residues 116 B and 119 B Built loop between residues 169 B and 178 B Built loop between residues 77 D and 87 D Built loop between residues 171 D and 174 D Built loop between residues 195 D and 198 D 6 chains (893 residues) following loop building 5 chains (892 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8345 restraints for refining 8563 atoms. 892 conditional restraints added. Observations/parameters ratio is 2.76 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2783 (Rfree = 0.000) for 8563 atoms. Found 366 (366 requested) and removed 191 (183 requested) atoms. Cycle 2: After refmac, R = 0.2482 (Rfree = 0.000) for 8715 atoms. Found 277 (366 requested) and removed 64 (186 requested) atoms. Cycle 3: After refmac, R = 0.2341 (Rfree = 0.000) for 8887 atoms. Found 241 (373 requested) and removed 52 (190 requested) atoms. Cycle 4: After refmac, R = 0.2245 (Rfree = 0.000) for 9030 atoms. Found 202 (380 requested) and removed 55 (194 requested) atoms. Cycle 5: After refmac, R = 0.2184 (Rfree = 0.000) for 9147 atoms. Found 193 (384 requested) and removed 71 (196 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.89 1.86 NCS extension: 94 residues added (42 deleted due to clashes), 9368 seeds are put forward Round 1: 890 peptides, 10 chains. Longest chain 168 peptides. Score 0.938 Round 2: 894 peptides, 10 chains. Longest chain 230 peptides. Score 0.939 Round 3: 891 peptides, 12 chains. Longest chain 230 peptides. Score 0.935 Round 4: 889 peptides, 13 chains. Longest chain 122 peptides. Score 0.933 Round 5: 890 peptides, 13 chains. Longest chain 162 peptides. Score 0.933 Taking the results from Round 2 Chains 11, Residues 884, Estimated correctness of the model 99.7 % 9 chains (871 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 213 A and 216 A Built loop between residues 45 C and 49 C Built loop between residues 198 B and 201 B 8 chains (891 residues) following loop building 6 chains (878 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8629 restraints for refining 8782 atoms. 1244 conditional restraints added. Observations/parameters ratio is 2.69 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2207 (Rfree = 0.000) for 8782 atoms. Found 344 (367 requested) and removed 113 (187 requested) atoms. Cycle 7: After refmac, R = 0.2129 (Rfree = 0.000) for 8995 atoms. Found 230 (377 requested) and removed 80 (192 requested) atoms. Cycle 8: After refmac, R = 0.2067 (Rfree = 0.000) for 9133 atoms. Found 192 (383 requested) and removed 57 (195 requested) atoms. Cycle 9: After refmac, R = 0.2019 (Rfree = 0.000) for 9249 atoms. Found 190 (388 requested) and removed 75 (198 requested) atoms. Cycle 10: After refmac, R = 0.1995 (Rfree = 0.000) for 9344 atoms. Found 200 (392 requested) and removed 98 (200 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.89 1.86 NCS extension: 100 residues added (149 deleted due to clashes), 9547 seeds are put forward Round 1: 889 peptides, 10 chains. Longest chain 167 peptides. Score 0.938 Round 2: 891 peptides, 8 chains. Longest chain 230 peptides. Score 0.941 Round 3: 891 peptides, 9 chains. Longest chain 230 peptides. Score 0.940 Round 4: 881 peptides, 14 chains. Longest chain 191 peptides. Score 0.930 Round 5: 891 peptides, 9 chains. Longest chain 230 peptides. Score 0.940 Taking the results from Round 2 Chains 8, Residues 883, Estimated correctness of the model 99.7 % 8 chains (883 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 214 A and 218 A Built loop between residues 78 B and 87 B Built loop between residues 198 B and 201 B 5 chains (896 residues) following loop building 5 chains (896 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8572 restraints for refining 8962 atoms. 1093 conditional restraints added. Observations/parameters ratio is 2.64 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2100 (Rfree = 0.000) for 8962 atoms. Found 374 (375 requested) and removed 114 (191 requested) atoms. Cycle 12: After refmac, R = 0.2066 (Rfree = 0.000) for 9197 atoms. Found 227 (386 requested) and removed 101 (197 requested) atoms. Cycle 13: After refmac, R = 0.2013 (Rfree = 0.000) for 9310 atoms. Found 242 (390 requested) and removed 73 (199 requested) atoms. Cycle 14: After refmac, R = 0.1988 (Rfree = 0.000) for 9466 atoms. Found 180 (397 requested) and removed 134 (202 requested) atoms. Cycle 15: After refmac, R = 0.1967 (Rfree = 0.000) for 9490 atoms. Found 256 (390 requested) and removed 97 (203 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.89 1.86 NCS extension: 82 residues added (56 deleted due to clashes), 9734 seeds are put forward Round 1: 891 peptides, 8 chains. Longest chain 231 peptides. Score 0.941 Round 2: 895 peptides, 9 chains. Longest chain 192 peptides. Score 0.941 Round 3: 891 peptides, 12 chains. Longest chain 230 peptides. Score 0.935 Round 4: 894 peptides, 11 chains. Longest chain 165 peptides. Score 0.937 Round 5: 891 peptides, 9 chains. Longest chain 230 peptides. Score 0.940 Taking the results from Round 2 Chains 9, Residues 886, Estimated correctness of the model 99.7 % 8 chains (882 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 90 C and 93 C Built loop between residues 214 D and 218 D 7 chains (891 residues) following loop building 6 chains (887 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8697 restraints for refining 9058 atoms. 1279 conditional restraints added. Observations/parameters ratio is 2.61 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2064 (Rfree = 0.000) for 9058 atoms. Found 372 (372 requested) and removed 91 (193 requested) atoms. Cycle 17: After refmac, R = 0.2029 (Rfree = 0.000) for 9320 atoms. Found 207 (383 requested) and removed 100 (199 requested) atoms. Cycle 18: After refmac, R = 0.1978 (Rfree = 0.000) for 9408 atoms. Found 226 (387 requested) and removed 79 (201 requested) atoms. Cycle 19: After refmac, R = 0.1958 (Rfree = 0.000) for 9538 atoms. Found 179 (392 requested) and removed 99 (204 requested) atoms. Cycle 20: After refmac, R = 0.1935 (Rfree = 0.000) for 9600 atoms. Found 208 (386 requested) and removed 92 (205 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.89 1.86 NCS extension: 109 residues added (133 deleted due to clashes), 9827 seeds are put forward Round 1: 888 peptides, 9 chains. Longest chain 231 peptides. Score 0.939 Round 2: 892 peptides, 10 chains. Longest chain 192 peptides. Score 0.938 Round 3: 888 peptides, 14 chains. Longest chain 175 peptides. Score 0.932 Round 4: 885 peptides, 11 chains. Longest chain 178 peptides. Score 0.935 Round 5: 886 peptides, 14 chains. Longest chain 156 peptides. Score 0.931 Taking the results from Round 1 Chains 10, Residues 879, Estimated correctness of the model 99.7 % 8 chains (873 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 45 B and 49 B 9 chains (882 residues) following loop building 7 chains (876 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8874 restraints for refining 9136 atoms. 1534 conditional restraints added. Observations/parameters ratio is 2.59 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2045 (Rfree = 0.000) for 9136 atoms. Found 367 (367 requested) and removed 96 (195 requested) atoms. Cycle 22: After refmac, R = 0.2016 (Rfree = 0.000) for 9378 atoms. Found 221 (378 requested) and removed 84 (201 requested) atoms. Cycle 23: After refmac, R = 0.1970 (Rfree = 0.000) for 9502 atoms. Found 217 (383 requested) and removed 79 (203 requested) atoms. Cycle 24: After refmac, R = 0.1943 (Rfree = 0.000) for 9629 atoms. Found 192 (387 requested) and removed 121 (206 requested) atoms. Cycle 25: After refmac, R = 0.1924 (Rfree = 0.000) for 9684 atoms. Found 214 (381 requested) and removed 108 (207 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.89 1.86 NCS extension: 101 residues added (147 deleted due to clashes), 9894 seeds are put forward Round 1: 888 peptides, 9 chains. Longest chain 231 peptides. Score 0.939 Round 2: 884 peptides, 14 chains. Longest chain 169 peptides. Score 0.931 Round 3: 891 peptides, 8 chains. Longest chain 231 peptides. Score 0.941 Round 4: 888 peptides, 11 chains. Longest chain 229 peptides. Score 0.936 Round 5: 883 peptides, 15 chains. Longest chain 119 peptides. Score 0.929 Taking the results from Round 3 Chains 8, Residues 883, Estimated correctness of the model 99.7 % 7 chains (880 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 169 C and 172 C 7 chains (885 residues) following loop building 6 chains (882 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8844 restraints for refining 9141 atoms. 1465 conditional restraints added. Observations/parameters ratio is 2.58 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2036 (Rfree = 0.000) for 9141 atoms. Found 352 (352 requested) and removed 120 (195 requested) atoms. Cycle 27: After refmac, R = 0.2002 (Rfree = 0.000) for 9344 atoms. Found 247 (360 requested) and removed 105 (200 requested) atoms. Cycle 28: After refmac, R = 0.1963 (Rfree = 0.000) for 9475 atoms. Found 214 (364 requested) and removed 97 (202 requested) atoms. Cycle 29: After refmac, R = 0.1942 (Rfree = 0.000) for 9579 atoms. Found 205 (369 requested) and removed 121 (205 requested) atoms. Cycle 30: After refmac, R = 0.1921 (Rfree = 0.000) for 9644 atoms. Found 217 (363 requested) and removed 114 (206 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.89 1.86 NCS extension: 46 residues added (23 deleted due to clashes), 9794 seeds are put forward Round 1: 886 peptides, 10 chains. Longest chain 230 peptides. Score 0.937 Round 2: 887 peptides, 12 chains. Longest chain 162 peptides. Score 0.934 Round 3: 886 peptides, 9 chains. Longest chain 231 peptides. Score 0.939 Round 4: 882 peptides, 12 chains. Longest chain 160 peptides. Score 0.933 Round 5: 885 peptides, 12 chains. Longest chain 189 peptides. Score 0.934 Taking the results from Round 3 Chains 10, Residues 877, Estimated correctness of the model 99.7 % 8 chains (873 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 45 C and 48 C Built loop between residues 96 C and 99 C 8 chains (881 residues) following loop building 6 chains (877 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8898 restraints for refining 9104 atoms. 1558 conditional restraints added. Observations/parameters ratio is 2.59 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2040 (Rfree = 0.000) for 9104 atoms. Found 335 (335 requested) and removed 108 (194 requested) atoms. Cycle 32: After refmac, R = 0.2002 (Rfree = 0.000) for 9300 atoms. Found 245 (343 requested) and removed 74 (199 requested) atoms. Cycle 33: After refmac, R = 0.1959 (Rfree = 0.000) for 9460 atoms. Found 219 (348 requested) and removed 79 (202 requested) atoms. Cycle 34: After refmac, R = 0.1937 (Rfree = 0.000) for 9583 atoms. Found 202 (353 requested) and removed 126 (205 requested) atoms. Cycle 35: After refmac, R = 0.1916 (Rfree = 0.000) for 9638 atoms. Found 248 (347 requested) and removed 126 (206 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.88 1.86 NCS extension: 46 residues added (23 deleted due to clashes), 9809 seeds are put forward Round 1: 886 peptides, 10 chains. Longest chain 230 peptides. Score 0.937 Round 2: 885 peptides, 9 chains. Longest chain 229 peptides. Score 0.939 Round 3: 886 peptides, 8 chains. Longest chain 231 peptides. Score 0.940 Round 4: 880 peptides, 14 chains. Longest chain 111 peptides. Score 0.930 Round 5: 882 peptides, 13 chains. Longest chain 168 peptides. Score 0.932 Taking the results from Round 3 Chains 8, Residues 878, Estimated correctness of the model 99.7 % 7 chains (875 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 213 B and 216 B 7 chains (880 residues) following loop building 6 chains (877 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8882 restraints for refining 9100 atoms. 1545 conditional restraints added. Observations/parameters ratio is 2.60 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2029 (Rfree = 0.000) for 9100 atoms. Found 319 (319 requested) and removed 115 (194 requested) atoms. Cycle 37: After refmac, R = 0.1999 (Rfree = 0.000) for 9280 atoms. Found 275 (326 requested) and removed 85 (199 requested) atoms. Cycle 38: After refmac, R = 0.1974 (Rfree = 0.000) for 9459 atoms. Found 211 (332 requested) and removed 106 (202 requested) atoms. Cycle 39: After refmac, R = 0.1946 (Rfree = 0.000) for 9555 atoms. Found 205 (327 requested) and removed 117 (204 requested) atoms. Cycle 40: After refmac, R = 0.1925 (Rfree = 0.000) for 9625 atoms. Found 209 (321 requested) and removed 121 (206 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.89 1.86 NCS extension: 46 residues added (23 deleted due to clashes), 9760 seeds are put forward Round 1: 881 peptides, 11 chains. Longest chain 231 peptides. Score 0.935 Round 2: 889 peptides, 12 chains. Longest chain 231 peptides. Score 0.935 Round 3: 881 peptides, 11 chains. Longest chain 166 peptides. Score 0.935 Round 4: 888 peptides, 13 chains. Longest chain 168 peptides. Score 0.933 Round 5: 887 peptides, 10 chains. Longest chain 231 peptides. Score 0.938 Taking the results from Round 5 Chains 11, Residues 877, Estimated correctness of the model 99.7 % 10 chains (862 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 198 A and 201 A Built loop between residues 129 C and 133 C Built loop between residues 168 B and 171 B 8 chains (884 residues) following loop building 7 chains (869 residues) in sequence following loop building ------------------------------------------------------ 94468 reflections ( 97.09 % complete ) and 8822 restraints for refining 9076 atoms. 1498 conditional restraints added. Observations/parameters ratio is 2.60 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2049 (Rfree = 0.000) for 9076 atoms. Found 295 (295 requested) and removed 102 (194 requested) atoms. Cycle 42: After refmac, R = 0.1995 (Rfree = 0.000) for 9245 atoms. Found 296 (301 requested) and removed 70 (198 requested) atoms. Cycle 43: After refmac, R = 0.1979 (Rfree = 0.000) for 9455 atoms. Found 195 (308 requested) and removed 100 (202 requested) atoms. Cycle 44: After refmac, R = 0.1936 (Rfree = 0.000) for 9535 atoms. Found 233 (302 requested) and removed 96 (204 requested) atoms. Cycle 45: After refmac, R = 0.1939 (Rfree = 0.000) for 9652 atoms. Found 201 (306 requested) and removed 133 (206 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.89 1.86 NCS extension: 77 residues added (160 deleted due to clashes), 9798 seeds are put forward Round 1: 885 peptides, 10 chains. Longest chain 231 peptides. Score 0.937 Round 2: 886 peptides, 12 chains. Longest chain 162 peptides. Score 0.934 Round 3: 886 peptides, 11 chains. Longest chain 166 peptides. Score 0.936 Round 4: 885 peptides, 13 chains. Longest chain 166 peptides. Score 0.932 Round 5: 884 peptides, 15 chains. Longest chain 231 peptides. Score 0.929 Taking the results from Round 1 Last building cycle: Chain fragments will be rearranged Chains 11, Residues 875, Estimated correctness of the model 99.7 % 9 chains (866 residues) have been docked in sequence Sequence coverage is 98 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 72 A and 75 A Built loop between residues 45 C and 49 C Built loop between residues 96 C and 99 C 8 chains (882 residues) following loop building 6 chains (873 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 94468 reflections ( 97.09 % complete ) and 7331 restraints for refining 7156 atoms. Observations/parameters ratio is 3.30 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2624 (Rfree = 0.000) for 7156 atoms. Found 220 (220 requested) and removed 0 (220 requested) atoms. Cycle 47: After refmac, R = 0.2420 (Rfree = 0.000) for 7156 atoms. Found 115 (227 requested) and removed 3 (157 requested) atoms. Cycle 48: After refmac, R = 0.2293 (Rfree = 0.000) for 7156 atoms. Found 77 (230 requested) and removed 6 (160 requested) atoms. Cycle 49: After refmac, R = 0.2222 (Rfree = 0.000) for 7156 atoms. Found 48 (233 requested) and removed 5 (161 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 00:34:00 GMT 2018 Job finished. TimeTaking 131.33 Used memory is bytes: 6586968