null Sun 23 Dec 22:23:01 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 2avn-2.5-parrot-hancs X-ray data file /users/emra500/scratch/Dataset/hancsChltofom/2avn-2.5-parrot-hancs.mtz Sequence file /users/emra500/scratch/Dataset/hancsChltofom/2avn-2.5-parrot-hancs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2avn-2.5-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/2avn-2.5-parrot-hancs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2avn-2.5-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 22:23:10 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/2avn-2.5-parrot-hancs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/hancs/ArpWArp/wArpResults/WorkingDir/2avn-2.5-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 763 and 0 Target number of residues in the AU: 763 Target solvent content: 0.5762 Checking the provided sequence file Detected sequence length: 260 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 2 Adjusted target number of residues: 520 Adjusted target solvent content: 0.71 Input MTZ file: 2avn-2.5-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: 181 Cell parameters: 133.767 133.767 188.622 90.000 90.000 120.000 Input sequence file: 2avn-2.5-parrot-hancs.fasta_lf Building free atoms model in initial map for 4160 target number of atoms Had to go as low as 1.05 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: 115.845 2.500 Wilson plot Bfac: 43.67 35104 reflections ( 99.87 % complete ) and 0 restraints for refining 4590 atoms. Observations/parameters ratio is 1.91 ------------------------------------------------------ Starting model: R = 0.3483 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.3284 (Rfree = 0.000) for 4590 atoms. Found 83 (83 requested) and removed 44 (41 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.75 2.04 NCS extension: 0 residues added, 4629 seeds are put forward Round 1: 395 peptides, 49 chains. Longest chain 18 peptides. Score 0.526 Round 2: 431 peptides, 35 chains. Longest chain 51 peptides. Score 0.657 Round 3: 438 peptides, 27 chains. Longest chain 47 peptides. Score 0.707 Round 4: 454 peptides, 25 chains. Longest chain 51 peptides. Score 0.732 Round 5: 439 peptides, 24 chains. Longest chain 54 peptides. Score 0.723 Taking the results from Round 4 Chains 27, Residues 429, Estimated correctness of the model 87.0 % 13 chains (336 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 40 A and 48 A Built loop between residues 60 A and 64 A Built loop between residues 109 A and 112 A Built loop between residues 122 A and 125 A Built loop between residues 174 A and 177 A Built loop between residues 198 A and 208 A Built loop between residues 72 B and 76 B 19 chains (454 residues) following loop building 6 chains (364 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 5541 restraints for refining 4487 atoms. 2137 conditional restraints added. Observations/parameters ratio is 1.96 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2887 (Rfree = 0.000) for 4487 atoms. Found 81 (81 requested) and removed 58 (40 requested) atoms. Cycle 2: After refmac, R = 0.2623 (Rfree = 0.000) for 4443 atoms. Found 79 (79 requested) and removed 51 (40 requested) atoms. Cycle 3: After refmac, R = 0.2439 (Rfree = 0.000) for 4436 atoms. Found 78 (78 requested) and removed 40 (40 requested) atoms. Cycle 4: After refmac, R = 0.2351 (Rfree = 0.000) for 4454 atoms. Found 76 (76 requested) and removed 42 (40 requested) atoms. Cycle 5: After refmac, R = 0.2267 (Rfree = 0.000) for 4476 atoms. Found 75 (75 requested) and removed 41 (40 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.61 1.94 NCS extension: 226 residues added (254 deleted due to clashes), 4758 seeds are put forward Round 1: 475 peptides, 10 chains. Longest chain 139 peptides. Score 0.816 Round 2: 485 peptides, 8 chains. Longest chain 140 peptides. Score 0.830 Round 3: 482 peptides, 14 chains. Longest chain 86 peptides. Score 0.804 Round 4: 486 peptides, 7 chains. Longest chain 210 peptides. Score 0.835 Round 5: 471 peptides, 17 chains. Longest chain 78 peptides. Score 0.783 Taking the results from Round 4 Chains 7, Residues 479, Estimated correctness of the model 94.7 % 7 chains (479 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 221 A and 225 A Built loop between residues 41 B and 46 B Built loop between residues 158 B and 161 B Built loop between residues 181 B and 184 B Built loop between residues 226 B and 230 B 2 chains (493 residues) following loop building 2 chains (493 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4563 restraints for refining 4556 atoms. 410 conditional restraints added. Observations/parameters ratio is 1.93 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2223 (Rfree = 0.000) for 4556 atoms. Found 74 (74 requested) and removed 55 (41 requested) atoms. Cycle 7: After refmac, R = 0.2048 (Rfree = 0.000) for 4538 atoms. Found 72 (72 requested) and removed 47 (41 requested) atoms. Cycle 8: After refmac, R = 0.1954 (Rfree = 0.000) for 4546 atoms. Found 71 (71 requested) and removed 43 (41 requested) atoms. Cycle 9: After refmac, R = 0.1896 (Rfree = 0.000) for 4563 atoms. Found 69 (69 requested) and removed 43 (41 requested) atoms. Cycle 10: After refmac, R = 0.1835 (Rfree = 0.000) for 4582 atoms. Found 68 (68 requested) and removed 43 (41 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.59 1.92 NCS extension: 0 residues added, 4609 seeds are put forward Round 1: 491 peptides, 5 chains. Longest chain 209 peptides. Score 0.845 Round 2: 490 peptides, 5 chains. Longest chain 166 peptides. Score 0.844 Round 3: 483 peptides, 7 chains. Longest chain 167 peptides. Score 0.833 Round 4: 483 peptides, 9 chains. Longest chain 116 peptides. Score 0.825 Round 5: 478 peptides, 15 chains. Longest chain 116 peptides. Score 0.797 Taking the results from Round 1 Chains 5, Residues 486, Estimated correctness of the model 95.2 % 5 chains (486 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 220 A and 223 A Built loop between residues 72 B and 75 B Built loop between residues 226 B and 229 B 2 chains (492 residues) following loop building 2 chains (492 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4478 restraints for refining 4467 atoms. 336 conditional restraints added. Observations/parameters ratio is 1.96 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2002 (Rfree = 0.000) for 4467 atoms. Found 65 (65 requested) and removed 53 (40 requested) atoms. Cycle 12: After refmac, R = 0.1841 (Rfree = 0.000) for 4468 atoms. Found 63 (63 requested) and removed 42 (40 requested) atoms. Cycle 13: After refmac, R = 0.1785 (Rfree = 0.000) for 4484 atoms. Found 62 (62 requested) and removed 43 (40 requested) atoms. Cycle 14: After refmac, R = 0.1755 (Rfree = 0.000) for 4501 atoms. Found 60 (60 requested) and removed 42 (40 requested) atoms. Cycle 15: After refmac, R = 0.1726 (Rfree = 0.000) for 4516 atoms. Found 58 (58 requested) and removed 40 (40 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.59 1.92 NCS extension: 0 residues added, 4535 seeds are put forward Round 1: 487 peptides, 6 chains. Longest chain 171 peptides. Score 0.839 Round 2: 490 peptides, 3 chains. Longest chain 247 peptides. Score 0.852 Round 3: 480 peptides, 10 chains. Longest chain 149 peptides. Score 0.819 Round 4: 481 peptides, 9 chains. Longest chain 113 peptides. Score 0.824 Round 5: 477 peptides, 14 chains. Longest chain 129 peptides. Score 0.801 Taking the results from Round 2 Chains 6, Residues 487, Estimated correctness of the model 95.6 % 4 chains (480 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 177 A and 180 A Built loop between residues 228 A and 235 A 3 chains (490 residues) following loop building 2 chains (488 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4559 restraints for refining 4475 atoms. 448 conditional restraints added. Observations/parameters ratio is 1.96 ------------------------------------------------------ Cycle 16: After refmac, R = 0.1983 (Rfree = 0.000) for 4475 atoms. Found 57 (57 requested) and removed 54 (40 requested) atoms. Cycle 17: After refmac, R = 0.1825 (Rfree = 0.000) for 4473 atoms. Found 55 (55 requested) and removed 42 (40 requested) atoms. Cycle 18: After refmac, R = 0.1765 (Rfree = 0.000) for 4484 atoms. Found 53 (53 requested) and removed 46 (40 requested) atoms. Cycle 19: After refmac, R = 0.1741 (Rfree = 0.000) for 4488 atoms. Found 52 (52 requested) and removed 43 (40 requested) atoms. Cycle 20: After refmac, R = 0.1722 (Rfree = 0.000) for 4493 atoms. Found 50 (50 requested) and removed 43 (40 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.60 1.93 NCS extension: 0 residues added (3 deleted due to clashes), 4504 seeds are put forward Round 1: 490 peptides, 6 chains. Longest chain 171 peptides. Score 0.841 Round 2: 490 peptides, 5 chains. Longest chain 183 peptides. Score 0.844 Round 3: 486 peptides, 7 chains. Longest chain 149 peptides. Score 0.835 Round 4: 477 peptides, 10 chains. Longest chain 116 peptides. Score 0.817 Round 5: 482 peptides, 14 chains. Longest chain 88 peptides. Score 0.804 Taking the results from Round 2 Chains 5, Residues 485, Estimated correctness of the model 95.2 % 5 chains (485 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 72 A and 75 A Built loop between residues 143 B and 146 B Built loop between residues 227 B and 230 B 2 chains (491 residues) following loop building 2 chains (491 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4598 restraints for refining 4530 atoms. 465 conditional restraints added. Observations/parameters ratio is 1.94 ------------------------------------------------------ Cycle 21: After refmac, R = 0.2060 (Rfree = 0.000) for 4530 atoms. Found 49 (49 requested) and removed 64 (41 requested) atoms. Cycle 22: After refmac, R = 0.1884 (Rfree = 0.000) for 4508 atoms. Found 47 (47 requested) and removed 44 (40 requested) atoms. Cycle 23: After refmac, R = 0.1823 (Rfree = 0.000) for 4509 atoms. Found 45 (45 requested) and removed 41 (40 requested) atoms. Cycle 24: After refmac, R = 0.1799 (Rfree = 0.000) for 4508 atoms. Found 44 (44 requested) and removed 45 (40 requested) atoms. Cycle 25: After refmac, R = 0.1779 (Rfree = 0.000) for 4503 atoms. Found 42 (42 requested) and removed 49 (40 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.61 1.94 NCS extension: 0 residues added, 4498 seeds are put forward Round 1: 491 peptides, 3 chains. Longest chain 244 peptides. Score 0.852 Round 2: 487 peptides, 7 chains. Longest chain 171 peptides. Score 0.835 Round 3: 488 peptides, 7 chains. Longest chain 149 peptides. Score 0.836 Round 4: 466 peptides, 17 chains. Longest chain 92 peptides. Score 0.779 Round 5: 475 peptides, 12 chains. Longest chain 132 peptides. Score 0.807 Taking the results from Round 1 Chains 3, Residues 488, Estimated correctness of the model 95.6 % 3 chains (488 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 182 B and 185 B 2 chains (490 residues) following loop building 2 chains (490 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4526 restraints for refining 4486 atoms. 402 conditional restraints added. Observations/parameters ratio is 1.96 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1947 (Rfree = 0.000) for 4486 atoms. Found 40 (40 requested) and removed 61 (40 requested) atoms. Cycle 27: After refmac, R = 0.1797 (Rfree = 0.000) for 4459 atoms. Found 40 (40 requested) and removed 40 (40 requested) atoms. Cycle 28: After refmac, R = 0.1756 (Rfree = 0.000) for 4457 atoms. Found 40 (40 requested) and removed 44 (40 requested) atoms. Cycle 29: After refmac, R = 0.1725 (Rfree = 0.000) for 4452 atoms. Found 40 (40 requested) and removed 43 (40 requested) atoms. Cycle 30: After refmac, R = 0.1700 (Rfree = 0.000) for 4448 atoms. Found 40 (40 requested) and removed 45 (40 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.60 1.93 NCS extension: 0 residues added (3 deleted due to clashes), 4443 seeds are put forward Round 1: 491 peptides, 7 chains. Longest chain 172 peptides. Score 0.838 Round 2: 493 peptides, 3 chains. Longest chain 246 peptides. Score 0.854 Round 3: 486 peptides, 9 chains. Longest chain 167 peptides. Score 0.827 Round 4: 489 peptides, 7 chains. Longest chain 216 peptides. Score 0.836 Round 5: 475 peptides, 17 chains. Longest chain 97 peptides. Score 0.786 Taking the results from Round 2 Chains 3, Residues 490, Estimated correctness of the model 95.7 % 3 chains (490 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 226 B and 229 B 2 chains (492 residues) following loop building 2 chains (492 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4494 restraints for refining 4469 atoms. 352 conditional restraints added. Observations/parameters ratio is 1.96 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1933 (Rfree = 0.000) for 4469 atoms. Found 40 (40 requested) and removed 54 (40 requested) atoms. Cycle 32: After refmac, R = 0.1803 (Rfree = 0.000) for 4452 atoms. Found 40 (40 requested) and removed 42 (40 requested) atoms. Cycle 33: After refmac, R = 0.1747 (Rfree = 0.000) for 4447 atoms. Found 40 (40 requested) and removed 40 (40 requested) atoms. Cycle 34: After refmac, R = 0.1735 (Rfree = 0.000) for 4444 atoms. Found 40 (40 requested) and removed 42 (40 requested) atoms. Cycle 35: After refmac, R = 0.1706 (Rfree = 0.000) for 4442 atoms. Found 40 (40 requested) and removed 43 (40 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.60 1.93 NCS extension: 0 residues added, 4439 seeds are put forward Round 1: 490 peptides, 7 chains. Longest chain 171 peptides. Score 0.837 Round 2: 492 peptides, 4 chains. Longest chain 184 peptides. Score 0.849 Round 3: 488 peptides, 7 chains. Longest chain 185 peptides. Score 0.836 Round 4: 480 peptides, 11 chains. Longest chain 119 peptides. Score 0.815 Round 5: 475 peptides, 15 chains. Longest chain 97 peptides. Score 0.795 Taking the results from Round 2 Chains 4, Residues 488, Estimated correctness of the model 95.5 % 4 chains (488 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 143 A and 146 A Built loop between residues 72 B and 75 B 2 chains (492 residues) following loop building 2 chains (492 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4473 restraints for refining 4446 atoms. 331 conditional restraints added. Observations/parameters ratio is 1.97 ------------------------------------------------------ Cycle 36: After refmac, R = 0.1915 (Rfree = 0.000) for 4446 atoms. Found 40 (40 requested) and removed 54 (40 requested) atoms. Cycle 37: After refmac, R = 0.1784 (Rfree = 0.000) for 4428 atoms. Found 40 (40 requested) and removed 40 (40 requested) atoms. Cycle 38: After refmac, R = 0.1732 (Rfree = 0.000) for 4427 atoms. Found 40 (40 requested) and removed 41 (40 requested) atoms. Cycle 39: After refmac, R = 0.1731 (Rfree = 0.000) for 4424 atoms. Found 40 (40 requested) and removed 43 (40 requested) atoms. Cycle 40: After refmac, R = 0.1704 (Rfree = 0.000) for 4418 atoms. Found 40 (40 requested) and removed 42 (40 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.59 1.92 NCS extension: 0 residues added, 4417 seeds are put forward Round 1: 489 peptides, 7 chains. Longest chain 172 peptides. Score 0.836 Round 2: 491 peptides, 5 chains. Longest chain 209 peptides. Score 0.845 Round 3: 485 peptides, 6 chains. Longest chain 213 peptides. Score 0.838 Round 4: 487 peptides, 9 chains. Longest chain 166 peptides. Score 0.827 Round 5: 472 peptides, 12 chains. Longest chain 113 peptides. Score 0.805 Taking the results from Round 2 Chains 5, Residues 486, Estimated correctness of the model 95.2 % 5 chains (486 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 220 A and 223 A Built loop between residues 143 B and 146 B Built loop between residues 226 B and 229 B 2 chains (492 residues) following loop building 2 chains (492 residues) in sequence following loop building ------------------------------------------------------ 35104 reflections ( 99.87 % complete ) and 4510 restraints for refining 4452 atoms. 368 conditional restraints added. Observations/parameters ratio is 1.97 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1925 (Rfree = 0.000) for 4452 atoms. Found 40 (40 requested) and removed 57 (40 requested) atoms. Cycle 42: After refmac, R = 0.1787 (Rfree = 0.000) for 4431 atoms. Found 40 (40 requested) and removed 43 (40 requested) atoms. Cycle 43: After refmac, R = 0.1758 (Rfree = 0.000) for 4425 atoms. Found 40 (40 requested) and removed 43 (40 requested) atoms. Cycle 44: After refmac, R = 0.1723 (Rfree = 0.000) for 4421 atoms. Found 40 (40 requested) and removed 44 (40 requested) atoms. Cycle 45: After refmac, R = 0.1710 (Rfree = 0.000) for 4413 atoms. Found 40 (40 requested) and removed 42 (40 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.59 1.92 NCS extension: 0 residues added, 4411 seeds are put forward Round 1: 488 peptides, 6 chains. Longest chain 172 peptides. Score 0.840 Round 2: 490 peptides, 4 chains. Longest chain 244 peptides. Score 0.848 Round 3: 484 peptides, 7 chains. Longest chain 185 peptides. Score 0.833 Round 4: 487 peptides, 8 chains. Longest chain 167 peptides. Score 0.831 Round 5: 474 peptides, 14 chains. Longest chain 114 peptides. Score 0.798 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 4, Residues 486, Estimated correctness of the model 95.4 % 4 chains (486 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 143 B and 146 B Built loop between residues 226 B and 229 B 2 chains (490 residues) following loop building 2 chains (490 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 35104 reflections ( 99.87 % complete ) and 4124 restraints for refining 4033 atoms. Observations/parameters ratio is 2.18 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2433 (Rfree = 0.000) for 4033 atoms. Found 36 (36 requested) and removed 0 (36 requested) atoms. Cycle 47: After refmac, R = 0.2243 (Rfree = 0.000) for 4033 atoms. Found 36 (36 requested) and removed 7 (36 requested) atoms. Cycle 48: After refmac, R = 0.2146 (Rfree = 0.000) for 4033 atoms. Found 37 (37 requested) and removed 9 (37 requested) atoms. Cycle 49: After refmac, R = 0.2067 (Rfree = 0.000) for 4033 atoms. Found 36 (37 requested) and removed 11 (37 requested) atoms. Writing output files ... Normal termination of warpNtrace Sun 23 Dec 23:58:00 GMT 2018 Job finished. TimeTaking 94.98 Used memory is bytes: 22448312