null Mon 24 Dec 01:12:56 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 2p97-1.6-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/2p97-1.6-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/2p97-1.6-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-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/2p97-1.6-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-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 01:13:00 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/2p97-1.6-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2p97-1.6-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 517 and 0 Target number of residues in the AU: 517 Target solvent content: 0.4524 Checking the provided sequence file Detected sequence length: 201 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 402 Adjusted target solvent content: 0.57 Input MTZ file: 2p97-1.6-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: 94 Cell parameters: 103.080 103.080 96.168 90.000 90.000 90.000 Input sequence file: 2p97-1.6-parrot-mrncs.fasta_lf Building free atoms model in initial map for 3216 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: 72.889 1.600 Wilson plot Bfac: 14.91 68679 reflections ( 99.97 % complete ) and 0 restraints for refining 3549 atoms. Observations/parameters ratio is 4.84 ------------------------------------------------------ Starting model: R = 0.3379 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2713 (Rfree = 0.000) for 3549 atoms. Found 229 (229 requested) and removed 102 (114 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.63 1.48 NCS extension: 0 residues added, 3676 seeds are put forward Round 1: 366 peptides, 12 chains. Longest chain 117 peptides. Score 0.892 Round 2: 376 peptides, 9 chains. Longest chain 123 peptides. Score 0.912 Round 3: 383 peptides, 7 chains. Longest chain 192 peptides. Score 0.924 Round 4: 387 peptides, 9 chains. Longest chain 95 peptides. Score 0.919 Round 5: 387 peptides, 9 chains. Longest chain 161 peptides. Score 0.919 Taking the results from Round 3 Chains 7, Residues 376, Estimated correctness of the model 99.7 % 6 chains (351 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 15 A and 22 A Built loop between residues 140 A and 143 A Built loop between residues 155 A and 159 A 4 chains (387 residues) following loop building 3 chains (362 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3949 restraints for refining 3775 atoms. 921 conditional restraints added. Observations/parameters ratio is 4.55 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2643 (Rfree = 0.000) for 3775 atoms. Found 181 (244 requested) and removed 65 (122 requested) atoms. Cycle 2: After refmac, R = 0.2467 (Rfree = 0.000) for 3890 atoms. Found 139 (251 requested) and removed 12 (125 requested) atoms. Cycle 3: After refmac, R = 0.2193 (Rfree = 0.000) for 4014 atoms. Found 112 (259 requested) and removed 24 (129 requested) atoms. Cycle 4: After refmac, R = 0.2070 (Rfree = 0.000) for 4092 atoms. Found 98 (265 requested) and removed 30 (132 requested) atoms. Cycle 5: After refmac, R = 0.1993 (Rfree = 0.000) for 4155 atoms. Found 100 (268 requested) and removed 31 (134 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.62 1.47 NCS extension: 10 residues added (188 deleted due to clashes), 4236 seeds are put forward Round 1: 387 peptides, 8 chains. Longest chain 130 peptides. Score 0.922 Round 2: 392 peptides, 7 chains. Longest chain 101 peptides. Score 0.929 Round 3: 392 peptides, 8 chains. Longest chain 160 peptides. Score 0.925 Round 4: 394 peptides, 8 chains. Longest chain 104 peptides. Score 0.926 Round 5: 387 peptides, 10 chains. Longest chain 94 peptides. Score 0.915 Taking the results from Round 2 Chains 8, Residues 385, Estimated correctness of the model 99.7 % 7 chains (384 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 18 A and 24 A Built loop between residues 49 A and 52 A Built loop between residues 38 B and 41 B Built loop between residues 140 B and 143 B 3 chains (395 residues) following loop building 3 chains (395 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3878 restraints for refining 3989 atoms. 698 conditional restraints added. Observations/parameters ratio is 4.30 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2053 (Rfree = 0.000) for 3989 atoms. Found 205 (258 requested) and removed 52 (129 requested) atoms. Cycle 7: After refmac, R = 0.1977 (Rfree = 0.000) for 4136 atoms. Found 136 (267 requested) and removed 53 (133 requested) atoms. Cycle 8: After refmac, R = 0.1936 (Rfree = 0.000) for 4216 atoms. Found 111 (272 requested) and removed 71 (136 requested) atoms. Cycle 9: After refmac, R = 0.1893 (Rfree = 0.000) for 4250 atoms. Found 140 (269 requested) and removed 58 (137 requested) atoms. Cycle 10: After refmac, R = 0.1877 (Rfree = 0.000) for 4324 atoms. Found 117 (273 requested) and removed 72 (139 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.62 1.47 NCS extension: 11 residues added (188 deleted due to clashes), 4380 seeds are put forward Round 1: 389 peptides, 6 chains. Longest chain 122 peptides. Score 0.931 Round 2: 389 peptides, 7 chains. Longest chain 199 peptides. Score 0.927 Round 3: 387 peptides, 7 chains. Longest chain 104 peptides. Score 0.926 Round 4: 389 peptides, 10 chains. Longest chain 108 peptides. Score 0.916 Round 5: 389 peptides, 5 chains. Longest chain 121 peptides. Score 0.934 Taking the results from Round 5 Chains 5, Residues 384, Estimated correctness of the model 99.8 % 5 chains (384 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 76 A and 79 A Built loop between residues 87 B and 90 B 2 chains (395 residues) following loop building 2 chains (395 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3890 restraints for refining 4035 atoms. 709 conditional restraints added. Observations/parameters ratio is 4.26 ------------------------------------------------------ Cycle 11: After refmac, R = 0.1972 (Rfree = 0.000) for 4035 atoms. Found 193 (251 requested) and removed 46 (130 requested) atoms. Cycle 12: After refmac, R = 0.1938 (Rfree = 0.000) for 4176 atoms. Found 135 (259 requested) and removed 56 (135 requested) atoms. Cycle 13: After refmac, R = 0.1877 (Rfree = 0.000) for 4249 atoms. Found 125 (264 requested) and removed 42 (137 requested) atoms. Cycle 14: After refmac, R = 0.1866 (Rfree = 0.000) for 4326 atoms. Found 104 (268 requested) and removed 82 (139 requested) atoms. Cycle 15: After refmac, R = 0.1837 (Rfree = 0.000) for 4337 atoms. Found 137 (263 requested) and removed 59 (140 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4415 seeds are put forward Round 1: 385 peptides, 8 chains. Longest chain 135 peptides. Score 0.921 Round 2: 391 peptides, 4 chains. Longest chain 199 peptides. Score 0.939 Round 3: 390 peptides, 6 chains. Longest chain 160 peptides. Score 0.931 Round 4: 392 peptides, 6 chains. Longest chain 163 peptides. Score 0.932 Round 5: 388 peptides, 6 chains. Longest chain 179 peptides. Score 0.930 Taking the results from Round 2 Chains 4, Residues 387, Estimated correctness of the model 99.8 % 4 chains (387 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 B and 24 B Built loop between residues 32 B and 35 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3957 restraints for refining 4070 atoms. 769 conditional restraints added. Observations/parameters ratio is 4.22 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1974 (Rfree = 0.000) for 4070 atoms. Found 222 (247 requested) and removed 47 (131 requested) atoms. Cycle 17: After refmac, R = 0.1948 (Rfree = 0.000) for 4230 atoms. Found 114 (258 requested) and removed 86 (137 requested) atoms. Cycle 18: After refmac, R = 0.1888 (Rfree = 0.000) for 4252 atoms. Found 131 (253 requested) and removed 51 (137 requested) atoms. Cycle 19: After refmac, R = 0.1846 (Rfree = 0.000) for 4321 atoms. Found 136 (257 requested) and removed 71 (139 requested) atoms. Cycle 20: After refmac, R = 0.1833 (Rfree = 0.000) for 4377 atoms. Found 120 (255 requested) and removed 85 (141 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.62 1.47 NCS extension: 55 residues added (144 deleted due to clashes), 4467 seeds are put forward Round 1: 389 peptides, 6 chains. Longest chain 140 peptides. Score 0.931 Round 2: 391 peptides, 5 chains. Longest chain 199 peptides. Score 0.935 Round 3: 389 peptides, 6 chains. Longest chain 160 peptides. Score 0.931 Round 4: 388 peptides, 6 chains. Longest chain 150 peptides. Score 0.930 Round 5: 386 peptides, 7 chains. Longest chain 109 peptides. Score 0.926 Taking the results from Round 2 Chains 5, Residues 386, Estimated correctness of the model 99.8 % 5 chains (386 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 B and 24 B Built loop between residues 32 B and 35 B Built loop between residues 165 B and 168 B 2 chains (397 residues) following loop building 2 chains (397 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3995 restraints for refining 4106 atoms. 799 conditional restraints added. Observations/parameters ratio is 4.18 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1959 (Rfree = 0.000) for 4106 atoms. Found 223 (233 requested) and removed 46 (132 requested) atoms. Cycle 22: After refmac, R = 0.1921 (Rfree = 0.000) for 4277 atoms. Found 102 (244 requested) and removed 58 (138 requested) atoms. Cycle 23: After refmac, R = 0.1860 (Rfree = 0.000) for 4308 atoms. Found 128 (240 requested) and removed 49 (139 requested) atoms. Cycle 24: After refmac, R = 0.1848 (Rfree = 0.000) for 4381 atoms. Found 111 (243 requested) and removed 76 (141 requested) atoms. Cycle 25: After refmac, R = 0.1834 (Rfree = 0.000) for 4410 atoms. Found 114 (239 requested) and removed 71 (142 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.62 1.47 NCS extension: 142 residues added (57 deleted due to clashes), 4596 seeds are put forward Round 1: 388 peptides, 6 chains. Longest chain 166 peptides. Score 0.930 Round 2: 386 peptides, 10 chains. Longest chain 101 peptides. Score 0.914 Round 3: 390 peptides, 6 chains. Longest chain 160 peptides. Score 0.931 Round 4: 388 peptides, 7 chains. Longest chain 124 peptides. Score 0.927 Round 5: 388 peptides, 9 chains. Longest chain 94 peptides. Score 0.919 Taking the results from Round 3 Chains 7, Residues 384, Estimated correctness of the model 99.7 % 6 chains (383 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 72 A and 74 A Built loop between residues 18 B and 22 B Built loop between residues 38 B and 41 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 3999 restraints for refining 4107 atoms. 811 conditional restraints added. Observations/parameters ratio is 4.18 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1960 (Rfree = 0.000) for 4107 atoms. Found 217 (217 requested) and removed 56 (132 requested) atoms. Cycle 27: After refmac, R = 0.1933 (Rfree = 0.000) for 4263 atoms. Found 123 (226 requested) and removed 79 (138 requested) atoms. Cycle 28: After refmac, R = 0.1868 (Rfree = 0.000) for 4297 atoms. Found 134 (222 requested) and removed 56 (139 requested) atoms. Cycle 29: After refmac, R = 0.1853 (Rfree = 0.000) for 4370 atoms. Found 105 (226 requested) and removed 81 (141 requested) atoms. Cycle 30: After refmac, R = 0.1823 (Rfree = 0.000) for 4387 atoms. Found 145 (222 requested) and removed 49 (142 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.62 1.47 NCS extension: 34 residues added (166 deleted due to clashes), 4520 seeds are put forward Round 1: 379 peptides, 8 chains. Longest chain 102 peptides. Score 0.918 Round 2: 390 peptides, 6 chains. Longest chain 199 peptides. Score 0.931 Round 3: 390 peptides, 6 chains. Longest chain 127 peptides. Score 0.931 Round 4: 389 peptides, 8 chains. Longest chain 160 peptides. Score 0.923 Round 5: 386 peptides, 6 chains. Longest chain 176 peptides. Score 0.929 Taking the results from Round 3 Chains 6, Residues 384, Estimated correctness of the model 99.7 % 6 chains (384 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 72 A and 74 A Built loop between residues 38 B and 41 B Built loop between residues 104 B and 107 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4002 restraints for refining 4105 atoms. 814 conditional restraints added. Observations/parameters ratio is 4.18 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1977 (Rfree = 0.000) for 4105 atoms. Found 207 (207 requested) and removed 44 (132 requested) atoms. Cycle 32: After refmac, R = 0.1939 (Rfree = 0.000) for 4262 atoms. Found 128 (215 requested) and removed 61 (138 requested) atoms. Cycle 33: After refmac, R = 0.1876 (Rfree = 0.000) for 4322 atoms. Found 140 (218 requested) and removed 63 (139 requested) atoms. Cycle 34: After refmac, R = 0.1854 (Rfree = 0.000) for 4391 atoms. Found 118 (222 requested) and removed 75 (142 requested) atoms. Cycle 35: After refmac, R = 0.1829 (Rfree = 0.000) for 4421 atoms. Found 137 (217 requested) and removed 64 (143 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.62 1.47 NCS extension: 26 residues added (173 deleted due to clashes), 4521 seeds are put forward Round 1: 387 peptides, 8 chains. Longest chain 107 peptides. Score 0.922 Round 2: 390 peptides, 6 chains. Longest chain 199 peptides. Score 0.931 Round 3: 387 peptides, 8 chains. Longest chain 94 peptides. Score 0.922 Round 4: 386 peptides, 5 chains. Longest chain 199 peptides. Score 0.933 Round 5: 390 peptides, 6 chains. Longest chain 199 peptides. Score 0.931 Taking the results from Round 4 Chains 5, Residues 381, Estimated correctness of the model 99.8 % 5 chains (381 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 B and 24 B Built loop between residues 33 B and 40 B Built loop between residues 72 B and 74 B 2 chains (395 residues) following loop building 2 chains (395 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4010 restraints for refining 4122 atoms. 829 conditional restraints added. Observations/parameters ratio is 4.17 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1984 (Rfree = 0.000) for 4122 atoms. Found 202 (202 requested) and removed 53 (133 requested) atoms. Cycle 37: After refmac, R = 0.1932 (Rfree = 0.000) for 4260 atoms. Found 135 (210 requested) and removed 52 (138 requested) atoms. Cycle 38: After refmac, R = 0.1871 (Rfree = 0.000) for 4334 atoms. Found 141 (213 requested) and removed 57 (140 requested) atoms. Cycle 39: After refmac, R = 0.1859 (Rfree = 0.000) for 4409 atoms. Found 123 (217 requested) and removed 79 (142 requested) atoms. Cycle 40: After refmac, R = 0.1831 (Rfree = 0.000) for 4441 atoms. Found 135 (212 requested) and removed 76 (143 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4500 seeds are put forward Round 1: 383 peptides, 7 chains. Longest chain 120 peptides. Score 0.924 Round 2: 386 peptides, 9 chains. Longest chain 108 peptides. Score 0.918 Round 3: 387 peptides, 6 chains. Longest chain 177 peptides. Score 0.930 Round 4: 386 peptides, 9 chains. Longest chain 122 peptides. Score 0.918 Round 5: 385 peptides, 9 chains. Longest chain 111 peptides. Score 0.917 Taking the results from Round 3 Chains 6, Residues 381, Estimated correctness of the model 99.7 % 6 chains (381 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 18 A and 22 A Built loop between residues 38 A and 41 A Built loop between residues 86 A and 90 A Built loop between residues 16 B and 24 B 2 chains (396 residues) following loop building 2 chains (396 residues) in sequence following loop building ------------------------------------------------------ 68679 reflections ( 99.97 % complete ) and 4082 restraints for refining 4152 atoms. 894 conditional restraints added. Observations/parameters ratio is 4.14 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1963 (Rfree = 0.000) for 4152 atoms. Found 193 (193 requested) and removed 50 (134 requested) atoms. Cycle 42: After refmac, R = 0.1907 (Rfree = 0.000) for 4288 atoms. Found 126 (199 requested) and removed 56 (138 requested) atoms. Cycle 43: After refmac, R = 0.1859 (Rfree = 0.000) for 4350 atoms. Found 119 (202 requested) and removed 59 (140 requested) atoms. Cycle 44: After refmac, R = 0.1829 (Rfree = 0.000) for 4400 atoms. Found 115 (205 requested) and removed 56 (142 requested) atoms. Cycle 45: After refmac, R = 0.1809 (Rfree = 0.000) for 4450 atoms. Found 112 (207 requested) and removed 70 (144 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.62 1.47 NCS extension: 0 residues added, 4493 seeds are put forward Round 1: 385 peptides, 9 chains. Longest chain 96 peptides. Score 0.917 Round 2: 386 peptides, 8 chains. Longest chain 108 peptides. Score 0.922 Round 3: 386 peptides, 8 chains. Longest chain 111 peptides. Score 0.922 Round 4: 387 peptides, 7 chains. Longest chain 105 peptides. Score 0.926 Round 5: 389 peptides, 6 chains. Longest chain 179 peptides. Score 0.931 Taking the results from Round 5 Last building cycle: Chain fragments will be rearranged Chains 6, Residues 383, Estimated correctness of the model 99.7 % 6 chains (383 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 72 A and 74 A Built loop between residues 158 A and 161 A Built loop between residues 17 B and 22 B 2 chains (397 residues) following loop building 2 chains (397 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 68679 reflections ( 99.97 % complete ) and 3196 restraints for refining 3130 atoms. Observations/parameters ratio is 5.49 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2651 (Rfree = 0.000) for 3130 atoms. Found 141 (141 requested) and removed 0 (141 requested) atoms. Cycle 47: After refmac, R = 0.2412 (Rfree = 0.000) for 3130 atoms. Found 109 (148 requested) and removed 0 (105 requested) atoms. Cycle 48: After refmac, R = 0.2226 (Rfree = 0.000) for 3130 atoms. Found 47 (153 requested) and removed 1 (109 requested) atoms. Cycle 49: After refmac, R = 0.2110 (Rfree = 0.000) for 3130 atoms. Found 33 (155 requested) and removed 4 (110 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 02:12:50 GMT 2018 Job finished. TimeTaking 59.91 Used memory is bytes: 9653488