null Mon 24 Dec 00:16:52 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 2p8j-3.2-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/2p8j-3.2-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/2p8j-3.2-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2p8j-3.2-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/2p8j-3.2-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2p8j-3.2-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 00:16:56 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/2p8j-3.2-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/2p8j-3.2-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 439 and 0 Target number of residues in the AU: 439 Target solvent content: 0.6324 Checking the provided sequence file Detected sequence length: 209 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 418 Adjusted target solvent content: 0.65 Input MTZ file: 2p8j-3.2-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: 152 Cell parameters: 83.860 83.860 159.200 90.000 90.000 120.000 Input sequence file: 2p8j-3.2-parrot-mrncs.fasta_lf Building free atoms model in initial map for 3344 target number of atoms Had to go as low as 1.00 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: 72.625 3.201 Wilson plot Bfac: 67.57 11083 reflections ( 98.96 % complete ) and 0 restraints for refining 3682 atoms. Observations/parameters ratio is 0.75 ------------------------------------------------------ Starting model: R = 0.3284 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2695 (Rfree = 0.000) for 3682 atoms. Found 33 (33 requested) and removed 19 (16 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 3.18 2.59 Search for helices and strands: 0 residues in 0 chains, 3772 seeds are put forward NCS extension: 0 residues added, 3772 seeds are put forward Round 1: 265 peptides, 36 chains. Longest chain 23 peptides. Score 0.498 Round 2: 295 peptides, 29 chains. Longest chain 32 peptides. Score 0.624 Round 3: 283 peptides, 32 chains. Longest chain 24 peptides. Score 0.574 Round 4: 316 peptides, 31 chains. Longest chain 41 peptides. Score 0.644 Round 5: 329 peptides, 27 chains. Longest chain 51 peptides. Score 0.696 Taking the results from Round 5 Chains 30, Residues 302, Estimated correctness of the model 64.3 % 7 chains (136 residues) have been docked in sequence ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 5385 restraints for refining 3302 atoms. 3612 conditional restraints added. Observations/parameters ratio is 0.84 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2785 (Rfree = 0.000) for 3302 atoms. Found 29 (29 requested) and removed 28 (14 requested) atoms. Cycle 2: After refmac, R = 0.2522 (Rfree = 0.000) for 3252 atoms. Found 29 (29 requested) and removed 19 (14 requested) atoms. Cycle 3: After refmac, R = 0.2390 (Rfree = 0.000) for 3243 atoms. Found 15 (29 requested) and removed 15 (14 requested) atoms. Cycle 4: After refmac, R = 0.2315 (Rfree = 0.000) for 3226 atoms. Found 9 (29 requested) and removed 14 (14 requested) atoms. Cycle 5: After refmac, R = 0.2256 (Rfree = 0.000) for 3213 atoms. Found 6 (28 requested) and removed 14 (14 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 3.21 2.61 Search for helices and strands: 0 residues in 0 chains, 3309 seeds are put forward NCS extension: 32 residues added (2 deleted due to clashes), 3341 seeds are put forward Round 1: 326 peptides, 30 chains. Longest chain 42 peptides. Score 0.669 Round 2: 335 peptides, 24 chains. Longest chain 33 peptides. Score 0.727 Round 3: 327 peptides, 25 chains. Longest chain 34 peptides. Score 0.708 Round 4: 323 peptides, 26 chains. Longest chain 34 peptides. Score 0.695 Round 5: 319 peptides, 24 chains. Longest chain 36 peptides. Score 0.703 Taking the results from Round 2 Chains 27, Residues 311, Estimated correctness of the model 70.7 % 8 chains (156 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 185 A and 191 A Built loop between residues 188 B and 191 B 24 chains (317 residues) following loop building 6 chains (163 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4954 restraints for refining 3181 atoms. 2992 conditional restraints added. Observations/parameters ratio is 0.87 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2570 (Rfree = 0.000) for 3181 atoms. Found 26 (28 requested) and removed 26 (14 requested) atoms. Cycle 7: After refmac, R = 0.2365 (Rfree = 0.000) for 3161 atoms. Found 19 (27 requested) and removed 15 (14 requested) atoms. Cycle 8: After refmac, R = 0.2438 (Rfree = 0.000) for 3153 atoms. Found 23 (27 requested) and removed 17 (14 requested) atoms. Cycle 9: After refmac, R = 0.2440 (Rfree = 0.000) for 3152 atoms. Found 26 (26 requested) and removed 15 (14 requested) atoms. Cycle 10: After refmac, R = 0.2384 (Rfree = 0.000) for 3154 atoms. Found 26 (26 requested) and removed 18 (14 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 3.16 2.57 Search for helices and strands: 0 residues in 0 chains, 3255 seeds are put forward NCS extension: 14 residues added (17 deleted due to clashes), 3269 seeds are put forward Round 1: 319 peptides, 27 chains. Longest chain 39 peptides. Score 0.681 Round 2: 330 peptides, 26 chains. Longest chain 35 peptides. Score 0.705 Round 3: 349 peptides, 28 chains. Longest chain 42 peptides. Score 0.718 Round 4: 341 peptides, 22 chains. Longest chain 51 peptides. Score 0.748 Round 5: 347 peptides, 25 chains. Longest chain 41 peptides. Score 0.736 Taking the results from Round 4 Chains 27, Residues 319, Estimated correctness of the model 74.7 % 6 chains (144 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 149 B and 156 B 25 chains (319 residues) following loop building 5 chains (150 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4908 restraints for refining 3102 atoms. 3020 conditional restraints added. Observations/parameters ratio is 0.89 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2745 (Rfree = 0.000) for 3102 atoms. Found 24 (24 requested) and removed 31 (13 requested) atoms. Cycle 12: After refmac, R = 0.2608 (Rfree = 0.000) for 3085 atoms. Found 24 (24 requested) and removed 21 (13 requested) atoms. Cycle 13: After refmac, R = 0.2530 (Rfree = 0.000) for 3083 atoms. Found 23 (23 requested) and removed 21 (13 requested) atoms. Cycle 14: After refmac, R = 0.2544 (Rfree = 0.000) for 3070 atoms. Found 23 (23 requested) and removed 14 (13 requested) atoms. Cycle 15: After refmac, R = 0.2509 (Rfree = 0.000) for 3075 atoms. Found 22 (22 requested) and removed 16 (13 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 3.20 2.60 Search for helices and strands: 0 residues in 0 chains, 3176 seeds are put forward NCS extension: 18 residues added (6 deleted due to clashes), 3194 seeds are put forward Round 1: 340 peptides, 28 chains. Longest chain 50 peptides. Score 0.705 Round 2: 339 peptides, 20 chains. Longest chain 49 peptides. Score 0.759 Round 3: 329 peptides, 27 chains. Longest chain 33 peptides. Score 0.696 Round 4: 342 peptides, 28 chains. Longest chain 40 peptides. Score 0.708 Round 5: 342 peptides, 23 chains. Longest chain 55 peptides. Score 0.743 Taking the results from Round 2 Chains 20, Residues 319, Estimated correctness of the model 76.7 % 5 chains (182 residues) have been docked in sequence Building loops using Loopy2018 20 chains (319 residues) following loop building 5 chains (182 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4936 restraints for refining 3201 atoms. 2888 conditional restraints added. Observations/parameters ratio is 0.87 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2735 (Rfree = 0.000) for 3201 atoms. Found 22 (22 requested) and removed 27 (14 requested) atoms. Cycle 17: After refmac, R = 0.2625 (Rfree = 0.000) for 3177 atoms. Found 22 (22 requested) and removed 20 (14 requested) atoms. Cycle 18: After refmac, R = 0.2536 (Rfree = 0.000) for 3166 atoms. Found 21 (21 requested) and removed 21 (14 requested) atoms. Cycle 19: After refmac, R = 0.2261 (Rfree = 0.000) for 3158 atoms. Found 16 (21 requested) and removed 14 (14 requested) atoms. Cycle 20: After refmac, R = 0.2322 (Rfree = 0.000) for 3153 atoms. Found 17 (20 requested) and removed 20 (14 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 3.20 2.60 Search for helices and strands: 0 residues in 0 chains, 3225 seeds are put forward NCS extension: 30 residues added (31 deleted due to clashes), 3255 seeds are put forward Round 1: 342 peptides, 27 chains. Longest chain 48 peptides. Score 0.715 Round 2: 352 peptides, 19 chains. Longest chain 67 peptides. Score 0.781 Round 3: 355 peptides, 22 chains. Longest chain 45 peptides. Score 0.766 Round 4: 331 peptides, 25 chains. Longest chain 36 peptides. Score 0.714 Round 5: 337 peptides, 17 chains. Longest chain 42 peptides. Score 0.776 Taking the results from Round 2 Chains 25, Residues 333, Estimated correctness of the model 80.4 % 7 chains (195 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 148 B and 155 B 23 chains (334 residues) following loop building 6 chains (201 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4710 restraints for refining 3212 atoms. 2544 conditional restraints added. Observations/parameters ratio is 0.86 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2529 (Rfree = 0.000) for 3212 atoms. Found 20 (20 requested) and removed 29 (14 requested) atoms. Cycle 22: After refmac, R = 0.2445 (Rfree = 0.000) for 3187 atoms. Found 19 (19 requested) and removed 23 (14 requested) atoms. Cycle 23: After refmac, R = 0.2189 (Rfree = 0.000) for 3174 atoms. Found 12 (18 requested) and removed 16 (14 requested) atoms. Cycle 24: After refmac, R = 0.2207 (Rfree = 0.000) for 3167 atoms. Found 15 (18 requested) and removed 14 (14 requested) atoms. Cycle 25: After refmac, R = 0.2100 (Rfree = 0.000) for 3166 atoms. Found 4 (17 requested) and removed 14 (14 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 3.16 2.57 Search for helices and strands: 0 residues in 0 chains, 3235 seeds are put forward NCS extension: 63 residues added (41 deleted due to clashes), 3298 seeds are put forward Round 1: 342 peptides, 26 chains. Longest chain 35 peptides. Score 0.722 Round 2: 354 peptides, 22 chains. Longest chain 38 peptides. Score 0.765 Round 3: 349 peptides, 20 chains. Longest chain 34 peptides. Score 0.771 Round 4: 348 peptides, 17 chains. Longest chain 71 peptides. Score 0.788 Round 5: 340 peptides, 24 chains. Longest chain 39 peptides. Score 0.733 Taking the results from Round 4 Chains 19, Residues 331, Estimated correctness of the model 81.5 % 6 chains (190 residues) have been docked in sequence Building loops using Loopy2018 19 chains (331 residues) following loop building 6 chains (190 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4793 restraints for refining 3182 atoms. 2653 conditional restraints added. Observations/parameters ratio is 0.87 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2612 (Rfree = 0.000) for 3182 atoms. Found 17 (17 requested) and removed 26 (14 requested) atoms. Cycle 27: After refmac, R = 0.2538 (Rfree = 0.000) for 3167 atoms. Found 16 (16 requested) and removed 19 (14 requested) atoms. Cycle 28: After refmac, R = 0.2498 (Rfree = 0.000) for 3157 atoms. Found 16 (16 requested) and removed 19 (14 requested) atoms. Cycle 29: After refmac, R = 0.2448 (Rfree = 0.000) for 3151 atoms. Found 15 (15 requested) and removed 16 (14 requested) atoms. Cycle 30: After refmac, R = 0.2426 (Rfree = 0.000) for 3146 atoms. Found 15 (15 requested) and removed 15 (14 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 3.17 2.58 Search for helices and strands: 0 residues in 0 chains, 3223 seeds are put forward NCS extension: 28 residues added (25 deleted due to clashes), 3251 seeds are put forward Round 1: 334 peptides, 26 chains. Longest chain 38 peptides. Score 0.711 Round 2: 335 peptides, 26 chains. Longest chain 43 peptides. Score 0.712 Round 3: 327 peptides, 21 chains. Longest chain 43 peptides. Score 0.736 Round 4: 338 peptides, 23 chains. Longest chain 55 peptides. Score 0.737 Round 5: 335 peptides, 22 chains. Longest chain 38 peptides. Score 0.740 Taking the results from Round 5 Chains 25, Residues 313, Estimated correctness of the model 73.2 % 8 chains (176 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 169 B and 173 B 23 chains (314 residues) following loop building 7 chains (179 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4736 restraints for refining 3143 atoms. 2759 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 31: After refmac, R = 0.2786 (Rfree = 0.000) for 3143 atoms. Found 14 (14 requested) and removed 40 (14 requested) atoms. Cycle 32: After refmac, R = 0.2702 (Rfree = 0.000) for 3102 atoms. Found 13 (13 requested) and removed 19 (13 requested) atoms. Cycle 33: After refmac, R = 0.2643 (Rfree = 0.000) for 3093 atoms. Found 13 (13 requested) and removed 19 (13 requested) atoms. Cycle 34: After refmac, R = 0.2556 (Rfree = 0.000) for 3083 atoms. Found 13 (13 requested) and removed 18 (13 requested) atoms. Cycle 35: After refmac, R = 0.2486 (Rfree = 0.000) for 3076 atoms. Found 13 (13 requested) and removed 19 (13 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 3.17 2.58 Search for helices and strands: 0 residues in 0 chains, 3186 seeds are put forward NCS extension: 23 residues added (11 deleted due to clashes), 3209 seeds are put forward Round 1: 319 peptides, 26 chains. Longest chain 41 peptides. Score 0.688 Round 2: 330 peptides, 20 chains. Longest chain 37 peptides. Score 0.747 Round 3: 313 peptides, 26 chains. Longest chain 32 peptides. Score 0.679 Round 4: 331 peptides, 18 chains. Longest chain 43 peptides. Score 0.762 Round 5: 327 peptides, 28 chains. Longest chain 34 peptides. Score 0.686 Taking the results from Round 4 Chains 22, Residues 313, Estimated correctness of the model 77.2 % 7 chains (169 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 95 A and 99 A 20 chains (314 residues) following loop building 6 chains (172 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 4583 restraints for refining 3080 atoms. 2573 conditional restraints added. Observations/parameters ratio is 0.90 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2864 (Rfree = 0.000) for 3080 atoms. Found 13 (13 requested) and removed 34 (13 requested) atoms. Cycle 37: After refmac, R = 0.2611 (Rfree = 0.000) for 3053 atoms. Found 13 (13 requested) and removed 15 (13 requested) atoms. Cycle 38: After refmac, R = 0.2568 (Rfree = 0.000) for 3045 atoms. Found 13 (13 requested) and removed 19 (13 requested) atoms. Cycle 39: After refmac, R = 0.2453 (Rfree = 0.000) for 3035 atoms. Found 13 (13 requested) and removed 17 (13 requested) atoms. Cycle 40: After refmac, R = 0.2407 (Rfree = 0.000) for 3026 atoms. Found 13 (13 requested) and removed 23 (13 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 3.15 2.56 Search for helices and strands: 0 residues in 0 chains, 3100 seeds are put forward NCS extension: 34 residues added (56 deleted due to clashes), 3134 seeds are put forward Round 1: 317 peptides, 25 chains. Longest chain 50 peptides. Score 0.693 Round 2: 325 peptides, 27 chains. Longest chain 33 peptides. Score 0.690 Round 3: 326 peptides, 25 chains. Longest chain 33 peptides. Score 0.706 Round 4: 331 peptides, 25 chains. Longest chain 33 peptides. Score 0.714 Round 5: 314 peptides, 26 chains. Longest chain 32 peptides. Score 0.681 Taking the results from Round 4 Chains 29, Residues 306, Estimated correctness of the model 68.1 % 6 chains (134 residues) have been docked in sequence Building loops using Loopy2018 29 chains (306 residues) following loop building 6 chains (134 residues) in sequence following loop building ------------------------------------------------------ 11083 reflections ( 98.96 % complete ) and 5102 restraints for refining 3053 atoms. 3328 conditional restraints added. Observations/parameters ratio is 0.91 ------------------------------------------------------ Cycle 41: After refmac, R = 0.2732 (Rfree = 0.000) for 3053 atoms. Found 13 (13 requested) and removed 25 (13 requested) atoms. Cycle 42: After refmac, R = 0.2583 (Rfree = 0.000) for 3032 atoms. Found 13 (13 requested) and removed 18 (13 requested) atoms. Cycle 43: After refmac, R = 0.2530 (Rfree = 0.000) for 3023 atoms. Found 13 (13 requested) and removed 18 (13 requested) atoms. Cycle 44: After refmac, R = 0.2472 (Rfree = 0.000) for 3013 atoms. Found 13 (13 requested) and removed 14 (13 requested) atoms. Cycle 45: After refmac, R = 0.2425 (Rfree = 0.000) for 3011 atoms. Found 13 (13 requested) and removed 15 (13 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 3.17 2.58 Search for helices and strands: 0 residues in 0 chains, 3107 seeds are put forward NCS extension: 13 residues added (13 deleted due to clashes), 3120 seeds are put forward Round 1: 305 peptides, 29 chains. Longest chain 27 peptides. Score 0.641 Round 2: 333 peptides, 27 chains. Longest chain 71 peptides. Score 0.702 Round 3: 337 peptides, 24 chains. Longest chain 44 peptides. Score 0.729 Round 4: 337 peptides, 23 chains. Longest chain 47 peptides. Score 0.736 Round 5: 342 peptides, 22 chains. Longest chain 43 peptides. Score 0.749 Taking the results from Round 5 Last building cycle: Chain fragments will be rearranged Chains 25, Residues 320, Estimated correctness of the model 74.9 % 6 chains (159 residues) have been docked in sequence Sequence coverage is 49 % Consider running further cycles of model building using 2p8j-3_warpNtrace.pdb as input Building loops using Loopy2018 Built loop between residues 56 B and 69 B Built loop between residues 141 B and 144 B 21 chains (331 residues) following loop building 4 chains (173 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. No atom update. 11083 reflections ( 98.96 % complete ) and 4748 restraints for refining 3137 atoms. 2733 conditional restraints added. Observations/parameters ratio is 0.88 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2756 (Rfree = 0.000) for 3137 atoms. Found 0 (14 requested) and removed 14 (14 requested) atoms. Cycle 47: After refmac, R = 0.2750 (Rfree = 0.000) for 3112 atoms. Found 0 (14 requested) and removed 8 (14 requested) atoms. Cycle 48: After refmac, R = 0.2687 (Rfree = 0.000) for 3099 atoms. Found 0 (13 requested) and removed 13 (13 requested) atoms. Cycle 49: After refmac, R = 0.2660 (Rfree = 0.000) for 3077 atoms. Found 0 (13 requested) and removed 11 (13 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 01:01:49 GMT 2018 Job finished. TimeTaking 44.94 Used memory is bytes: 23059680