null Sun 23 Dec 22:23:09 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 2fg0-1.8-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2fg0-1.8-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2fg0-1.8-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fg0-1.8-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/2fg0-1.8-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fg0-1.8-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 22:23:18 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/2fg0-1.8-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2fg0-1.8-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 730 and 0 Target number of residues in the AU: 730 Target solvent content: 0.4806 Checking the provided sequence file Detected sequence length: 246 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 492 Adjusted target solvent content: 0.65 Input MTZ file: 2fg0-1.8-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: 92 Cell parameters: 124.890 124.890 97.540 90.000 90.000 90.000 Input sequence file: 2fg0-1.8-parrot-hancs.fasta_lf Building free atoms model in initial map for 3936 target number of atoms Had to go as low as 0.70 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: 88.311 1.791 Wilson plot Bfac: 19.73 72462 reflections ( 99.59 % complete ) and 0 restraints for refining 4399 atoms. Observations/parameters ratio is 4.12 ------------------------------------------------------ Starting model: R = 0.3357 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2829 (Rfree = 0.000) for 4399 atoms. Found 206 (206 requested) and removed 106 (103 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 1.91 1.55 NCS extension: 0 residues added, 4499 seeds are put forward Round 1: 386 peptides, 35 chains. Longest chain 30 peptides. Score 0.674 Round 2: 414 peptides, 17 chains. Longest chain 66 peptides. Score 0.808 Round 3: 420 peptides, 13 chains. Longest chain 92 peptides. Score 0.832 Round 4: 427 peptides, 7 chains. Longest chain 108 peptides. Score 0.863 Round 5: 423 peptides, 8 chains. Longest chain 111 peptides. Score 0.856 Taking the results from Round 4 Chains 11, Residues 420, Estimated correctness of the model 98.7 % 7 chains (393 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 131 A and 135 A Built loop between residues 131 B and 135 B 9 chains (426 residues) following loop building 5 chains (399 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4309 restraints for refining 4145 atoms. 1004 conditional restraints added. Observations/parameters ratio is 4.37 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2634 (Rfree = 0.000) for 4145 atoms. Found 194 (194 requested) and removed 92 (97 requested) atoms. Cycle 2: After refmac, R = 0.2279 (Rfree = 0.000) for 4237 atoms. Found 180 (199 requested) and removed 50 (99 requested) atoms. Cycle 3: After refmac, R = 0.2120 (Rfree = 0.000) for 4347 atoms. Found 134 (204 requested) and removed 51 (102 requested) atoms. Cycle 4: After refmac, R = 0.2025 (Rfree = 0.000) for 4397 atoms. Found 149 (207 requested) and removed 63 (103 requested) atoms. Cycle 5: After refmac, R = 0.1964 (Rfree = 0.000) for 4460 atoms. Found 149 (210 requested) and removed 58 (105 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 1.86 1.51 NCS extension: 3 residues added (56 deleted due to clashes), 4555 seeds are put forward Round 1: 433 peptides, 6 chains. Longest chain 109 peptides. Score 0.871 Round 2: 431 peptides, 6 chains. Longest chain 112 peptides. Score 0.870 Round 3: 433 peptides, 7 chains. Longest chain 109 peptides. Score 0.867 Round 4: 435 peptides, 5 chains. Longest chain 111 peptides. Score 0.876 Round 5: 433 peptides, 6 chains. Longest chain 111 peptides. Score 0.871 Taking the results from Round 4 Chains 10, Residues 430, Estimated correctness of the model 98.9 % 6 chains (421 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 133 A and 136 A Built loop between residues 209 A and 218 A Built loop between residues 58 B and 61 B Built loop between residues 132 B and 136 B 4 chains (439 residues) following loop building 2 chains (436 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4094 restraints for refining 4229 atoms. 611 conditional restraints added. Observations/parameters ratio is 4.28 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2223 (Rfree = 0.000) for 4229 atoms. Found 198 (198 requested) and removed 53 (99 requested) atoms. Cycle 7: After refmac, R = 0.2031 (Rfree = 0.000) for 4366 atoms. Found 127 (205 requested) and removed 38 (102 requested) atoms. Cycle 8: After refmac, R = 0.1926 (Rfree = 0.000) for 4438 atoms. Found 136 (208 requested) and removed 31 (104 requested) atoms. Cycle 9: After refmac, R = 0.1875 (Rfree = 0.000) for 4525 atoms. Found 115 (213 requested) and removed 56 (106 requested) atoms. Cycle 10: After refmac, R = 0.1833 (Rfree = 0.000) for 4559 atoms. Found 149 (214 requested) and removed 42 (107 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 1.85 1.51 NCS extension: 59 residues added (163 deleted due to clashes), 4728 seeds are put forward Round 1: 431 peptides, 6 chains. Longest chain 111 peptides. Score 0.870 Round 2: 433 peptides, 5 chains. Longest chain 109 peptides. Score 0.875 Round 3: 434 peptides, 6 chains. Longest chain 112 peptides. Score 0.871 Round 4: 432 peptides, 6 chains. Longest chain 108 peptides. Score 0.870 Round 5: 428 peptides, 8 chains. Longest chain 108 peptides. Score 0.859 Taking the results from Round 2 Chains 9, Residues 428, Estimated correctness of the model 98.9 % 6 chains (421 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 132 A and 136 A Built loop between residues 206 A and 209 A Built loop between residues 133 B and 136 B Built loop between residues 209 B and 218 B 4 chains (438 residues) following loop building 2 chains (436 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4184 restraints for refining 4318 atoms. 705 conditional restraints added. Observations/parameters ratio is 4.20 ------------------------------------------------------ Cycle 11: After refmac, R = 0.1998 (Rfree = 0.000) for 4318 atoms. Found 202 (202 requested) and removed 37 (101 requested) atoms. Cycle 12: After refmac, R = 0.1917 (Rfree = 0.000) for 4467 atoms. Found 141 (210 requested) and removed 47 (105 requested) atoms. Cycle 13: After refmac, R = 0.1855 (Rfree = 0.000) for 4551 atoms. Found 142 (213 requested) and removed 43 (106 requested) atoms. Cycle 14: After refmac, R = 0.1825 (Rfree = 0.000) for 4635 atoms. Found 128 (218 requested) and removed 63 (109 requested) atoms. Cycle 15: After refmac, R = 0.1792 (Rfree = 0.000) for 4674 atoms. Found 168 (220 requested) and removed 51 (110 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 1.85 1.51 NCS extension: 34 residues added (186 deleted due to clashes), 4827 seeds are put forward Round 1: 433 peptides, 5 chains. Longest chain 112 peptides. Score 0.875 Round 2: 431 peptides, 7 chains. Longest chain 108 peptides. Score 0.865 Round 3: 433 peptides, 6 chains. Longest chain 108 peptides. Score 0.871 Round 4: 434 peptides, 5 chains. Longest chain 111 peptides. Score 0.875 Round 5: 434 peptides, 6 chains. Longest chain 111 peptides. Score 0.871 Taking the results from Round 4 Chains 8, Residues 429, Estimated correctness of the model 98.9 % 5 chains (418 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 132 A and 136 A Built loop between residues 133 B and 143 B Built loop between residues 206 B and 215 B 3 chains (439 residues) following loop building 2 chains (438 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4211 restraints for refining 4387 atoms. 717 conditional restraints added. Observations/parameters ratio is 4.13 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1976 (Rfree = 0.000) for 4387 atoms. Found 205 (205 requested) and removed 48 (102 requested) atoms. Cycle 17: After refmac, R = 0.1884 (Rfree = 0.000) for 4534 atoms. Found 142 (213 requested) and removed 51 (106 requested) atoms. Cycle 18: After refmac, R = 0.1837 (Rfree = 0.000) for 4615 atoms. Found 153 (216 requested) and removed 48 (108 requested) atoms. Cycle 19: After refmac, R = 0.1826 (Rfree = 0.000) for 4701 atoms. Found 139 (221 requested) and removed 76 (110 requested) atoms. Cycle 20: After refmac, R = 0.1803 (Rfree = 0.000) for 4733 atoms. Found 143 (219 requested) and removed 66 (111 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 1.85 1.51 NCS extension: 0 residues added, 4812 seeds are put forward Round 1: 436 peptides, 6 chains. Longest chain 112 peptides. Score 0.873 Round 2: 439 peptides, 3 chains. Longest chain 218 peptides. Score 0.886 Round 3: 434 peptides, 8 chains. Longest chain 109 peptides. Score 0.863 Round 4: 434 peptides, 6 chains. Longest chain 111 peptides. Score 0.871 Round 5: 434 peptides, 7 chains. Longest chain 109 peptides. Score 0.867 Taking the results from Round 2 Chains 3, Residues 436, Estimated correctness of the model 99.1 % 3 chains (436 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 131 B and 134 B 2 chains (438 residues) following loop building 2 chains (438 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4187 restraints for refining 4377 atoms. 689 conditional restraints added. Observations/parameters ratio is 4.14 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1905 (Rfree = 0.000) for 4377 atoms. Found 201 (201 requested) and removed 37 (102 requested) atoms. Cycle 22: After refmac, R = 0.1856 (Rfree = 0.000) for 4528 atoms. Found 155 (209 requested) and removed 49 (106 requested) atoms. Cycle 23: After refmac, R = 0.1816 (Rfree = 0.000) for 4628 atoms. Found 131 (213 requested) and removed 68 (108 requested) atoms. Cycle 24: After refmac, R = 0.1793 (Rfree = 0.000) for 4676 atoms. Found 143 (211 requested) and removed 58 (110 requested) atoms. Cycle 25: After refmac, R = 0.1805 (Rfree = 0.000) for 4745 atoms. Found 128 (214 requested) and removed 77 (111 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 1.85 1.51 NCS extension: 1 residues added (2 deleted due to clashes), 4797 seeds are put forward Round 1: 437 peptides, 4 chains. Longest chain 112 peptides. Score 0.881 Round 2: 437 peptides, 5 chains. Longest chain 111 peptides. Score 0.877 Round 3: 435 peptides, 5 chains. Longest chain 116 peptides. Score 0.876 Round 4: 437 peptides, 6 chains. Longest chain 166 peptides. Score 0.873 Round 5: 438 peptides, 7 chains. Longest chain 112 peptides. Score 0.870 Taking the results from Round 1 Chains 4, Residues 433, Estimated correctness of the model 99.0 % 4 chains (433 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 131 A and 135 A Built loop between residues 132 B and 135 B 2 chains (438 residues) following loop building 2 chains (438 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4240 restraints for refining 4392 atoms. 747 conditional restraints added. Observations/parameters ratio is 4.12 ------------------------------------------------------ Cycle 26: After refmac, R = 0.2044 (Rfree = 0.000) for 4392 atoms. Found 194 (194 requested) and removed 37 (103 requested) atoms. Cycle 27: After refmac, R = 0.1911 (Rfree = 0.000) for 4536 atoms. Found 167 (200 requested) and removed 55 (106 requested) atoms. Cycle 28: After refmac, R = 0.1843 (Rfree = 0.000) for 4634 atoms. Found 141 (205 requested) and removed 57 (109 requested) atoms. Cycle 29: After refmac, R = 0.1827 (Rfree = 0.000) for 4700 atoms. Found 140 (208 requested) and removed 74 (110 requested) atoms. Cycle 30: After refmac, R = 0.1821 (Rfree = 0.000) for 4746 atoms. Found 149 (205 requested) and removed 81 (111 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 1.85 1.51 NCS extension: 0 residues added, 4814 seeds are put forward Round 1: 432 peptides, 5 chains. Longest chain 111 peptides. Score 0.874 Round 2: 435 peptides, 5 chains. Longest chain 111 peptides. Score 0.876 Round 3: 433 peptides, 6 chains. Longest chain 111 peptides. Score 0.871 Round 4: 431 peptides, 6 chains. Longest chain 111 peptides. Score 0.870 Round 5: 431 peptides, 7 chains. Longest chain 107 peptides. Score 0.865 Taking the results from Round 2 Chains 6, Residues 430, Estimated correctness of the model 98.9 % 5 chains (429 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 132 A and 136 A Built loop between residues 206 A and 209 A Built loop between residues 132 B and 135 B 3 chains (437 residues) following loop building 2 chains (436 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4212 restraints for refining 4370 atoms. 735 conditional restraints added. Observations/parameters ratio is 4.15 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1892 (Rfree = 0.000) for 4370 atoms. Found 184 (184 requested) and removed 30 (102 requested) atoms. Cycle 32: After refmac, R = 0.1860 (Rfree = 0.000) for 4507 atoms. Found 161 (191 requested) and removed 41 (106 requested) atoms. Cycle 33: After refmac, R = 0.1850 (Rfree = 0.000) for 4619 atoms. Found 156 (195 requested) and removed 61 (108 requested) atoms. Cycle 34: After refmac, R = 0.1829 (Rfree = 0.000) for 4700 atoms. Found 134 (199 requested) and removed 76 (110 requested) atoms. Cycle 35: After refmac, R = 0.1803 (Rfree = 0.000) for 4731 atoms. Found 167 (196 requested) and removed 72 (111 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 1.85 1.51 NCS extension: 0 residues added, 4826 seeds are put forward Round 1: 434 peptides, 7 chains. Longest chain 112 peptides. Score 0.867 Round 2: 438 peptides, 4 chains. Longest chain 112 peptides. Score 0.882 Round 3: 433 peptides, 6 chains. Longest chain 111 peptides. Score 0.871 Round 4: 431 peptides, 7 chains. Longest chain 108 peptides. Score 0.865 Round 5: 432 peptides, 8 chains. Longest chain 111 peptides. Score 0.862 Taking the results from Round 2 Chains 4, Residues 434, Estimated correctness of the model 99.0 % 4 chains (434 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 131 A and 135 A Built loop between residues 132 B and 135 B 2 chains (439 residues) following loop building 2 chains (439 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4204 restraints for refining 4375 atoms. 702 conditional restraints added. Observations/parameters ratio is 4.14 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1908 (Rfree = 0.000) for 4375 atoms. Found 180 (180 requested) and removed 38 (102 requested) atoms. Cycle 37: After refmac, R = 0.1854 (Rfree = 0.000) for 4504 atoms. Found 174 (186 requested) and removed 46 (105 requested) atoms. Cycle 38: After refmac, R = 0.1857 (Rfree = 0.000) for 4620 atoms. Found 159 (191 requested) and removed 91 (108 requested) atoms. Cycle 39: After refmac, R = 0.1841 (Rfree = 0.000) for 4672 atoms. Found 175 (188 requested) and removed 75 (109 requested) atoms. Cycle 40: After refmac, R = 0.1836 (Rfree = 0.000) for 4752 atoms. Found 147 (192 requested) and removed 98 (111 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 1.85 1.51 NCS extension: 0 residues added, 4802 seeds are put forward Round 1: 436 peptides, 5 chains. Longest chain 111 peptides. Score 0.877 Round 2: 434 peptides, 7 chains. Longest chain 112 peptides. Score 0.867 Round 3: 433 peptides, 7 chains. Longest chain 111 peptides. Score 0.867 Round 4: 434 peptides, 7 chains. Longest chain 113 peptides. Score 0.867 Round 5: 434 peptides, 8 chains. Longest chain 107 peptides. Score 0.863 Taking the results from Round 1 Chains 5, Residues 431, Estimated correctness of the model 98.9 % 5 chains (431 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 62 A and 65 A Built loop between residues 132 A and 135 A Built loop between residues 131 B and 135 B 2 chains (438 residues) following loop building 2 chains (438 residues) in sequence following loop building ------------------------------------------------------ 72462 reflections ( 99.59 % complete ) and 4225 restraints for refining 4375 atoms. 734 conditional restraints added. Observations/parameters ratio is 4.14 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1900 (Rfree = 0.000) for 4375 atoms. Found 172 (172 requested) and removed 29 (102 requested) atoms. Cycle 42: After refmac, R = 0.1870 (Rfree = 0.000) for 4507 atoms. Found 177 (177 requested) and removed 54 (105 requested) atoms. Cycle 43: After refmac, R = 0.1856 (Rfree = 0.000) for 4626 atoms. Found 158 (182 requested) and removed 76 (108 requested) atoms. Cycle 44: After refmac, R = 0.1859 (Rfree = 0.000) for 4692 atoms. Found 145 (185 requested) and removed 104 (110 requested) atoms. Cycle 45: After refmac, R = 0.1827 (Rfree = 0.000) for 4715 atoms. Found 174 (182 requested) and removed 98 (111 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 1.84 1.50 NCS extension: 0 residues added, 4793 seeds are put forward Round 1: 435 peptides, 5 chains. Longest chain 111 peptides. Score 0.876 Round 2: 437 peptides, 5 chains. Longest chain 111 peptides. Score 0.877 Round 3: 434 peptides, 5 chains. Longest chain 118 peptides. Score 0.875 Round 4: 436 peptides, 7 chains. Longest chain 111 peptides. Score 0.869 Round 5: 434 peptides, 9 chains. Longest chain 111 peptides. Score 0.859 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 5, Residues 432, Estimated correctness of the model 98.9 % 5 chains (432 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 78 A and 81 A Built loop between residues 132 A and 135 A Built loop between residues 132 B and 135 B 2 chains (438 residues) following loop building 2 chains (438 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 72462 reflections ( 99.59 % complete ) and 3491 restraints for refining 3407 atoms. Observations/parameters ratio is 5.32 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2388 (Rfree = 0.000) for 3407 atoms. Found 127 (127 requested) and removed 0 (127 requested) atoms. Cycle 47: After refmac, R = 0.2114 (Rfree = 0.000) for 3407 atoms. Found 128 (132 requested) and removed 0 (82 requested) atoms. Cycle 48: After refmac, R = 0.1939 (Rfree = 0.000) for 3407 atoms. Found 51 (137 requested) and removed 2 (85 requested) atoms. Cycle 49: After refmac, R = 0.1850 (Rfree = 0.000) for 3407 atoms. Found 27 (139 requested) and removed 3 (87 requested) atoms. Writing output files ... Normal termination of warpNtrace Sun 23 Dec 23:47:51 GMT 2018 Job finished. TimeTaking 84.7 Used memory is bytes: 866768