null Mon 24 Dec 08:07:15 GMT 2018 ############### You are running ARP/wARP 8.0 ############### Working directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir Job ID is set to 2o08-2.5-parrot-noncs X-ray data file /users/emra500/scratch/Dataset/noncsChltofom/2o08-2.5-parrot-noncs.mtz Sequence file /users/emra500/scratch/Dataset/noncsChltofom/2o08-2.5-parrot-noncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2o08-2.5-parrot-noncs 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/noncs/ArpWArp/wArpResults/WorkingDir/2o08-2.5-parrot-noncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2o08-2.5-parrot-noncs ############### 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 08:07:19 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/noncs/ArpWArp/wArpResults/WorkingDir/2o08-2.5-parrot-noncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/noncs/ArpWArp/wArpResults/WorkingDir/2o08-2.5-parrot-noncs/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 442 and 0 Target number of residues in the AU: 442 Target solvent content: 0.5609 Checking the provided sequence file Detected sequence length: 188 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 376 Adjusted target solvent content: 0.63 Input MTZ file: 2o08-2.5-parrot-noncs.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: 20 Cell parameters: 87.690 166.470 74.630 90.000 90.000 90.000 Input sequence file: 2o08-2.5-parrot-noncs.fasta_lf Building free atoms model in initial map for 3008 target number of atoms Had to go as low as 0.85 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 3 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: 83.235 2.500 Wilson plot Bfac: 38.59 19066 reflections ( 98.80 % complete ) and 0 restraints for refining 3373 atoms. Observations/parameters ratio is 1.41 ------------------------------------------------------ Starting model: R = 0.3322 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2672 (Rfree = 0.000) for 3373 atoms. Found 41 (61 requested) and removed 33 (30 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.56 2.14 NCS extension: 0 residues added, 3381 seeds are put forward Round 1: 266 peptides, 41 chains. Longest chain 16 peptides. Score 0.485 Round 2: 280 peptides, 31 chains. Longest chain 23 peptides. Score 0.625 Round 3: 303 peptides, 31 chains. Longest chain 20 peptides. Score 0.671 Round 4: 317 peptides, 25 chains. Longest chain 26 peptides. Score 0.744 Round 5: 323 peptides, 24 chains. Longest chain 48 peptides. Score 0.760 Taking the results from Round 5 Chains 26, Residues 299, Estimated correctness of the model 89.4 % 8 chains (184 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 24 A Built loop between residues 101 A and 104 A Built loop between residues 87 B and 90 B 23 chains (310 residues) following loop building 5 chains (195 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 4353 restraints for refining 3181 atoms. 2305 conditional restraints added. Observations/parameters ratio is 1.50 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2981 (Rfree = 0.000) for 3181 atoms. Found 54 (57 requested) and removed 35 (28 requested) atoms. Cycle 2: After refmac, R = 0.2892 (Rfree = 0.000) for 3171 atoms. Found 55 (57 requested) and removed 33 (29 requested) atoms. Cycle 3: After refmac, R = 0.2731 (Rfree = 0.000) for 3168 atoms. Found 44 (55 requested) and removed 28 (28 requested) atoms. Cycle 4: After refmac, R = 0.2682 (Rfree = 0.000) for 3166 atoms. Found 39 (54 requested) and removed 29 (28 requested) atoms. Cycle 5: After refmac, R = 0.2497 (Rfree = 0.000) for 3158 atoms. Found 34 (52 requested) and removed 31 (28 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.56 2.14 NCS extension: 190 residues added (48 deleted due to clashes), 3369 seeds are put forward Round 1: 316 peptides, 19 chains. Longest chain 46 peptides. Score 0.785 Round 2: 329 peptides, 18 chains. Longest chain 60 peptides. Score 0.808 Round 3: 334 peptides, 18 chains. Longest chain 51 peptides. Score 0.814 Round 4: 333 peptides, 13 chains. Longest chain 78 peptides. Score 0.843 Round 5: 339 peptides, 17 chains. Longest chain 50 peptides. Score 0.826 Taking the results from Round 4 Chains 19, Residues 320, Estimated correctness of the model 95.1 % 9 chains (265 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 82 A Built loop between residues 93 A and 98 A Built loop between residues 152 A and 155 A Built loop between residues 15 B and 18 B Built loop between residues 70 B and 74 B 12 chains (334 residues) following loop building 4 chains (285 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3877 restraints for refining 3256 atoms. 1334 conditional restraints added. Observations/parameters ratio is 1.46 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2653 (Rfree = 0.000) for 3256 atoms. Found 51 (53 requested) and removed 33 (29 requested) atoms. Cycle 7: After refmac, R = 0.2442 (Rfree = 0.000) for 3247 atoms. Found 29 (52 requested) and removed 34 (29 requested) atoms. Cycle 8: After refmac, R = 0.2350 (Rfree = 0.000) for 3224 atoms. Found 34 (50 requested) and removed 29 (29 requested) atoms. Cycle 9: After refmac, R = 0.2344 (Rfree = 0.000) for 3219 atoms. Found 30 (49 requested) and removed 31 (29 requested) atoms. Cycle 10: After refmac, R = 0.2322 (Rfree = 0.000) for 3209 atoms. Found 22 (48 requested) and removed 31 (29 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.57 2.15 NCS extension: 43 residues added (18 deleted due to clashes), 3255 seeds are put forward Round 1: 338 peptides, 16 chains. Longest chain 67 peptides. Score 0.831 Round 2: 341 peptides, 10 chains. Longest chain 149 peptides. Score 0.867 Round 3: 338 peptides, 15 chains. Longest chain 55 peptides. Score 0.837 Round 4: 348 peptides, 14 chains. Longest chain 71 peptides. Score 0.852 Round 5: 339 peptides, 15 chains. Longest chain 54 peptides. Score 0.838 Taking the results from Round 2 Chains 14, Residues 331, Estimated correctness of the model 96.4 % 6 chains (286 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 137 A and 144 A 12 chains (333 residues) following loop building 5 chains (292 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3862 restraints for refining 3216 atoms. 1291 conditional restraints added. Observations/parameters ratio is 1.48 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2422 (Rfree = 0.000) for 3216 atoms. Found 46 (46 requested) and removed 37 (29 requested) atoms. Cycle 12: After refmac, R = 0.2291 (Rfree = 0.000) for 3215 atoms. Found 31 (45 requested) and removed 29 (29 requested) atoms. Cycle 13: After refmac, R = 0.2220 (Rfree = 0.000) for 3213 atoms. Found 26 (44 requested) and removed 31 (29 requested) atoms. Cycle 14: After refmac, R = 0.2184 (Rfree = 0.000) for 3197 atoms. Found 32 (43 requested) and removed 29 (29 requested) atoms. Cycle 15: After refmac, R = 0.2161 (Rfree = 0.000) for 3189 atoms. Found 29 (42 requested) and removed 29 (29 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.58 2.16 NCS extension: 115 residues added (140 deleted due to clashes), 3308 seeds are put forward Round 1: 359 peptides, 8 chains. Longest chain 139 peptides. Score 0.891 Round 2: 365 peptides, 7 chains. Longest chain 154 peptides. Score 0.900 Round 3: 359 peptides, 10 chains. Longest chain 99 peptides. Score 0.882 Round 4: 352 peptides, 12 chains. Longest chain 100 peptides. Score 0.866 Round 5: 358 peptides, 11 chains. Longest chain 90 peptides. Score 0.876 Taking the results from Round 2 Chains 8, Residues 358, Estimated correctness of the model 97.9 % 6 chains (337 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 42 A and 53 A Built loop between residues 82 A and 85 A Built loop between residues 155 B and 158 B 4 chains (365 residues) following loop building 3 chains (351 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3449 restraints for refining 3290 atoms. 501 conditional restraints added. Observations/parameters ratio is 1.45 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2154 (Rfree = 0.000) for 3290 atoms. Found 41 (41 requested) and removed 34 (29 requested) atoms. Cycle 17: After refmac, R = 0.1987 (Rfree = 0.000) for 3285 atoms. Found 40 (40 requested) and removed 30 (29 requested) atoms. Cycle 18: After refmac, R = 0.1922 (Rfree = 0.000) for 3284 atoms. Found 39 (39 requested) and removed 34 (29 requested) atoms. Cycle 19: After refmac, R = 0.1874 (Rfree = 0.000) for 3286 atoms. Found 38 (38 requested) and removed 30 (29 requested) atoms. Cycle 20: After refmac, R = 0.1856 (Rfree = 0.000) for 3292 atoms. Found 37 (37 requested) and removed 30 (29 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.53 2.12 NCS extension: 76 residues added (110 deleted due to clashes), 3377 seeds are put forward Round 1: 360 peptides, 7 chains. Longest chain 165 peptides. Score 0.896 Round 2: 360 peptides, 11 chains. Longest chain 82 peptides. Score 0.878 Round 3: 357 peptides, 9 chains. Longest chain 103 peptides. Score 0.885 Round 4: 343 peptides, 17 chains. Longest chain 58 peptides. Score 0.830 Round 5: 351 peptides, 9 chains. Longest chain 104 peptides. Score 0.880 Taking the results from Round 1 Chains 9, Residues 353, Estimated correctness of the model 97.7 % 7 chains (342 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 17 A and 22 A Built loop between residues 115 A and 118 A Built loop between residues 166 B and 170 B 6 chains (362 residues) following loop building 4 chains (351 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3406 restraints for refining 3242 atoms. 480 conditional restraints added. Observations/parameters ratio is 1.47 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2015 (Rfree = 0.000) for 3242 atoms. Found 35 (35 requested) and removed 30 (29 requested) atoms. Cycle 22: After refmac, R = 0.1874 (Rfree = 0.000) for 3239 atoms. Found 34 (34 requested) and removed 29 (29 requested) atoms. Cycle 23: After refmac, R = 0.1819 (Rfree = 0.000) for 3237 atoms. Found 32 (32 requested) and removed 29 (29 requested) atoms. Cycle 24: After refmac, R = 0.1795 (Rfree = 0.000) for 3233 atoms. Found 31 (31 requested) and removed 29 (29 requested) atoms. Cycle 25: After refmac, R = 0.1771 (Rfree = 0.000) for 3231 atoms. Found 30 (30 requested) and removed 27 (29 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.54 2.13 NCS extension: 19 residues added (24 deleted due to clashes), 3253 seeds are put forward Round 1: 365 peptides, 7 chains. Longest chain 103 peptides. Score 0.900 Round 2: 365 peptides, 7 chains. Longest chain 182 peptides. Score 0.900 Round 3: 361 peptides, 11 chains. Longest chain 90 peptides. Score 0.879 Round 4: 348 peptides, 12 chains. Longest chain 54 peptides. Score 0.863 Round 5: 357 peptides, 11 chains. Longest chain 143 peptides. Score 0.875 Taking the results from Round 2 Chains 10, Residues 358, Estimated correctness of the model 97.9 % 7 chains (352 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 21 A Built loop between residues 30 A and 33 A Built loop between residues 96 A and 99 A Built loop between residues 150 A and 153 A 5 chains (365 residues) following loop building 3 chains (362 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3298 restraints for refining 3238 atoms. 307 conditional restraints added. Observations/parameters ratio is 1.47 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1966 (Rfree = 0.000) for 3238 atoms. Found 29 (29 requested) and removed 36 (29 requested) atoms. Cycle 27: After refmac, R = 0.1865 (Rfree = 0.000) for 3229 atoms. Found 29 (29 requested) and removed 31 (29 requested) atoms. Cycle 28: After refmac, R = 0.1813 (Rfree = 0.000) for 3226 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. Cycle 29: After refmac, R = 0.1795 (Rfree = 0.000) for 3222 atoms. Found 29 (29 requested) and removed 30 (29 requested) atoms. Cycle 30: After refmac, R = 0.1748 (Rfree = 0.000) for 3216 atoms. Found 29 (29 requested) and removed 23 (29 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.54 2.13 NCS extension: 104 residues added (85 deleted due to clashes), 3326 seeds are put forward Round 1: 361 peptides, 8 chains. Longest chain 94 peptides. Score 0.893 Round 2: 362 peptides, 4 chains. Longest chain 182 peptides. Score 0.911 Round 3: 349 peptides, 10 chains. Longest chain 95 peptides. Score 0.874 Round 4: 353 peptides, 15 chains. Longest chain 54 peptides. Score 0.851 Round 5: 351 peptides, 15 chains. Longest chain 54 peptides. Score 0.850 Taking the results from Round 2 Chains 9, Residues 358, Estimated correctness of the model 98.3 % 6 chains (350 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 21 A Built loop between residues 95 A and 98 A Built loop between residues 146 A and 153 A 5 chains (365 residues) following loop building 3 chains (362 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3304 restraints for refining 3239 atoms. 313 conditional restraints added. Observations/parameters ratio is 1.47 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1912 (Rfree = 0.000) for 3239 atoms. Found 29 (29 requested) and removed 35 (29 requested) atoms. Cycle 32: After refmac, R = 0.1779 (Rfree = 0.000) for 3232 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. Cycle 33: After refmac, R = 0.1732 (Rfree = 0.000) for 3228 atoms. Found 29 (29 requested) and removed 30 (29 requested) atoms. Cycle 34: After refmac, R = 0.1729 (Rfree = 0.000) for 3224 atoms. Found 29 (29 requested) and removed 31 (29 requested) atoms. Cycle 35: After refmac, R = 0.1713 (Rfree = 0.000) for 3219 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.53 2.12 NCS extension: 103 residues added (86 deleted due to clashes), 3325 seeds are put forward Round 1: 362 peptides, 8 chains. Longest chain 83 peptides. Score 0.893 Round 2: 366 peptides, 6 chains. Longest chain 140 peptides. Score 0.905 Round 3: 352 peptides, 14 chains. Longest chain 51 peptides. Score 0.856 Round 4: 351 peptides, 10 chains. Longest chain 105 peptides. Score 0.875 Round 5: 348 peptides, 12 chains. Longest chain 76 peptides. Score 0.863 Taking the results from Round 2 Chains 8, Residues 360, Estimated correctness of the model 98.1 % 6 chains (356 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 16 A and 21 A Built loop between residues 118 A and 122 A Built loop between residues 140 B and 143 B 4 chains (366 residues) following loop building 3 chains (365 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3283 restraints for refining 3240 atoms. 267 conditional restraints added. Observations/parameters ratio is 1.47 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1841 (Rfree = 0.000) for 3240 atoms. Found 29 (29 requested) and removed 35 (29 requested) atoms. Cycle 37: After refmac, R = 0.1744 (Rfree = 0.000) for 3231 atoms. Found 29 (29 requested) and removed 31 (29 requested) atoms. Cycle 38: After refmac, R = 0.1705 (Rfree = 0.000) for 3228 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. Cycle 39: After refmac, R = 0.1717 (Rfree = 0.000) for 3222 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. Cycle 40: After refmac, R = 0.1668 (Rfree = 0.000) for 3217 atoms. Found 29 (29 requested) and removed 19 (29 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.51 2.10 NCS extension: 96 residues added (88 deleted due to clashes), 3327 seeds are put forward Round 1: 364 peptides, 6 chains. Longest chain 106 peptides. Score 0.904 Round 2: 366 peptides, 6 chains. Longest chain 90 peptides. Score 0.905 Round 3: 357 peptides, 9 chains. Longest chain 108 peptides. Score 0.885 Round 4: 356 peptides, 10 chains. Longest chain 66 peptides. Score 0.879 Round 5: 358 peptides, 11 chains. Longest chain 95 peptides. Score 0.876 Taking the results from Round 2 Chains 6, Residues 360, Estimated correctness of the model 98.1 % 6 chains (360 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 83 A and 86 A Built loop between residues 142 A and 145 A Built loop between residues 49 B and 52 B Built loop between residues 140 B and 143 B 2 chains (368 residues) following loop building 2 chains (368 residues) in sequence following loop building ------------------------------------------------------ 19066 reflections ( 98.80 % complete ) and 3244 restraints for refining 3244 atoms. 209 conditional restraints added. Observations/parameters ratio is 1.47 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1833 (Rfree = 0.000) for 3244 atoms. Found 29 (29 requested) and removed 33 (29 requested) atoms. Cycle 42: After refmac, R = 0.1688 (Rfree = 0.000) for 3237 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. Cycle 43: After refmac, R = 0.1656 (Rfree = 0.000) for 3234 atoms. Found 29 (29 requested) and removed 29 (29 requested) atoms. Cycle 44: After refmac, R = 0.1661 (Rfree = 0.000) for 3230 atoms. Found 29 (29 requested) and removed 23 (29 requested) atoms. Cycle 45: After refmac, R = 0.1676 (Rfree = 0.000) for 3233 atoms. Found 29 (29 requested) and removed 25 (29 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.54 2.13 NCS extension: 0 residues added, 3237 seeds are put forward Round 1: 358 peptides, 9 chains. Longest chain 104 peptides. Score 0.886 Round 2: 362 peptides, 6 chains. Longest chain 184 peptides. Score 0.902 Round 3: 346 peptides, 12 chains. Longest chain 92 peptides. Score 0.861 Round 4: 360 peptides, 11 chains. Longest chain 99 peptides. Score 0.878 Round 5: 354 peptides, 12 chains. Longest chain 77 peptides. Score 0.868 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 8, Residues 356, Estimated correctness of the model 97.9 % 5 chains (340 residues) have been docked in sequence Sequence coverage is 95 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 37 A and 43 A Built loop between residues 131 A and 138 A Built loop between residues 149 A and 152 A 3 chains (365 residues) following loop building 2 chains (353 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 19066 reflections ( 98.80 % complete ) and 2962 restraints for refining 2909 atoms. Observations/parameters ratio is 1.64 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2605 (Rfree = 0.000) for 2909 atoms. Found 26 (26 requested) and removed 0 (26 requested) atoms. Cycle 47: After refmac, R = 0.2369 (Rfree = 0.000) for 2909 atoms. Found 18 (26 requested) and removed 5 (26 requested) atoms. Cycle 48: After refmac, R = 0.2305 (Rfree = 0.000) for 2909 atoms. Found 4 (26 requested) and removed 6 (26 requested) atoms. Cycle 49: After refmac, R = 0.2306 (Rfree = 0.000) for 2909 atoms. Found 3 (26 requested) and removed 5 (26 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 08:52:10 GMT 2018 Job finished. TimeTaking 44.92 Used memory is bytes: 21446416