null Sun 23 Dec 23:59:12 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 1vqy-2.4-parrot-mrncs X-ray data file /users/emra500/scratch/Dataset/mrncsChltofom/1vqy-2.4-parrot-mrncs.mtz Sequence file /users/emra500/scratch/Dataset/mrncsChltofom/1vqy-2.4-parrot-mrncs.fasta Tracing mode WARPNTRACEPHASES Creating directory /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vqy-2.4-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/1vqy-2.4-parrot-mrncs/arp_warp_classic.par Job launched in /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vqy-2.4-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 ============================================================ Sun 23 Dec 23:59:17 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/1vqy-2.4-parrot-mrncs ARP/wARP software version: 8.0 The parameter file: /mnt/lustre/users/emra500/PipeliensFastaNoRFree/mrncs/ArpWArp/wArpResults/WorkingDir/1vqy-2.4-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 973 and 0 Target number of residues in the AU: 973 Target solvent content: 0.4624 Checking the provided sequence file Detected sequence length: 116 Maximum limit of NCS related copies: 60 Number of NCS-related molecules: 8 Adjusted target number of residues: 928 Adjusted target solvent content: 0.49 Input MTZ file: 1vqy-2.4-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: 19 Cell parameters: 68.026 110.931 129.804 90.000 90.000 90.000 Input sequence file: 1vqy-2.4-parrot-mrncs.fasta_lf Building free atoms model in initial map for 7424 target number of atoms Had to go as low as 0.50 sigma, to complete atoms search. ARP/wARP will be iterated with REFMAC5 50 refinement / model update cycles will be run in total. Atoms will be removed below 1.0 sigma in 2mFoDFc map and added above 3.2 sigma in mFoDFc map. Refmac Refinement Parameters 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: 29.074 2.400 Wilson plot Bfac: 16.49 38307 reflections ( 97.84 % complete ) and 0 restraints for refining 8203 atoms. Observations/parameters ratio is 1.17 ------------------------------------------------------ Starting model: R = 0.2969 (Rfree = 0.000). ------------------------------------------------------ Cycle 0: After refmac, R = 0.2238 (Rfree = 0.000) for 8203 atoms. Found 109 (167 requested) and removed 104 (83 requested) atoms. ------------------------------------------------------ Building Cycle 1 Atomic shape factors 2.04 2.07 NCS extension: 0 residues added, 8208 seeds are put forward Round 1: 621 peptides, 75 chains. Longest chain 29 peptides. Score 0.658 Round 2: 716 peptides, 51 chains. Longest chain 55 peptides. Score 0.825 Round 3: 750 peptides, 45 chains. Longest chain 51 peptides. Score 0.859 Round 4: 783 peptides, 33 chains. Longest chain 90 peptides. Score 0.900 Round 5: 793 peptides, 29 chains. Longest chain 80 peptides. Score 0.911 Taking the results from Round 5 Chains 35, Residues 764, Estimated correctness of the model 98.5 % 19 chains (695 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 68 C and 71 C Built loop between residues 57 B and 60 B Built loop between residues 95 B and 99 B Built loop between residues 61 E and 64 E Built loop between residues 80 D and 90 D Built loop between residues 82 G and 90 G Built loop between residues 28 H and 32 H 25 chains (787 residues) following loop building 12 chains (723 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 8289 restraints for refining 7583 atoms. 2080 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 1: After refmac, R = 0.2708 (Rfree = 0.000) for 7583 atoms. Found 154 (154 requested) and removed 101 (77 requested) atoms. Cycle 2: After refmac, R = 0.2524 (Rfree = 0.000) for 7581 atoms. Found 93 (152 requested) and removed 77 (77 requested) atoms. Cycle 3: After refmac, R = 0.2365 (Rfree = 0.000) for 7561 atoms. Found 84 (148 requested) and removed 79 (77 requested) atoms. Cycle 4: After refmac, R = 0.2248 (Rfree = 0.000) for 7538 atoms. Found 88 (145 requested) and removed 68 (77 requested) atoms. Cycle 5: After refmac, R = 0.2187 (Rfree = 0.000) for 7529 atoms. Found 69 (141 requested) and removed 42 (76 requested) atoms. ------------------------------------------------------ Building Cycle 2 Atomic shape factors 2.03 2.06 NCS extension: 48 residues added (344 deleted due to clashes), 7620 seeds are put forward Round 1: 820 peptides, 16 chains. Longest chain 104 peptides. Score 0.940 Round 2: 818 peptides, 11 chains. Longest chain 105 peptides. Score 0.948 Round 3: 816 peptides, 14 chains. Longest chain 105 peptides. Score 0.943 Round 4: 815 peptides, 14 chains. Longest chain 105 peptides. Score 0.943 Round 5: 811 peptides, 20 chains. Longest chain 105 peptides. Score 0.932 Taking the results from Round 2 Chains 12, Residues 807, Estimated correctness of the model 99.4 % 11 chains (803 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 79 A and 82 A Built loop between residues 79 C and 84 C Built loop between residues 72 B and 75 B 9 chains (815 residues) following loop building 8 chains (811 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7558 restraints for refining 7618 atoms. 826 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 6: After refmac, R = 0.2346 (Rfree = 0.000) for 7618 atoms. Found 139 (139 requested) and removed 89 (77 requested) atoms. Cycle 7: After refmac, R = 0.2219 (Rfree = 0.000) for 7645 atoms. Found 93 (137 requested) and removed 78 (78 requested) atoms. Cycle 8: After refmac, R = 0.2100 (Rfree = 0.000) for 7639 atoms. Found 73 (134 requested) and removed 83 (78 requested) atoms. Cycle 9: After refmac, R = 0.2068 (Rfree = 0.000) for 7615 atoms. Found 76 (130 requested) and removed 53 (77 requested) atoms. Cycle 10: After refmac, R = 0.2014 (Rfree = 0.000) for 7620 atoms. Found 86 (127 requested) and removed 68 (77 requested) atoms. ------------------------------------------------------ Building Cycle 3 Atomic shape factors 2.03 2.06 NCS extension: 0 residues added, 7642 seeds are put forward Round 1: 818 peptides, 16 chains. Longest chain 104 peptides. Score 0.940 Round 2: 823 peptides, 9 chains. Longest chain 104 peptides. Score 0.952 Round 3: 820 peptides, 12 chains. Longest chain 104 peptides. Score 0.947 Round 4: 815 peptides, 15 chains. Longest chain 104 peptides. Score 0.941 Round 5: 806 peptides, 20 chains. Longest chain 104 peptides. Score 0.931 Taking the results from Round 2 Chains 10, Residues 814, Estimated correctness of the model 99.5 % 9 chains (810 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 57 B and 60 B 9 chains (816 residues) following loop building 8 chains (812 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7500 restraints for refining 7572 atoms. 760 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 11: After refmac, R = 0.2173 (Rfree = 0.000) for 7572 atoms. Found 123 (123 requested) and removed 83 (77 requested) atoms. Cycle 12: After refmac, R = 0.2030 (Rfree = 0.000) for 7599 atoms. Found 103 (121 requested) and removed 77 (77 requested) atoms. Cycle 13: After refmac, R = 0.1972 (Rfree = 0.000) for 7611 atoms. Found 94 (118 requested) and removed 60 (77 requested) atoms. Cycle 14: After refmac, R = 0.1927 (Rfree = 0.000) for 7626 atoms. Found 82 (115 requested) and removed 60 (77 requested) atoms. Cycle 15: After refmac, R = 0.1918 (Rfree = 0.000) for 7634 atoms. Found 85 (112 requested) and removed 71 (77 requested) atoms. ------------------------------------------------------ Building Cycle 4 Atomic shape factors 2.03 2.06 NCS extension: 0 residues added, 7648 seeds are put forward Round 1: 820 peptides, 15 chains. Longest chain 104 peptides. Score 0.942 Round 2: 825 peptides, 11 chains. Longest chain 105 peptides. Score 0.949 Round 3: 822 peptides, 10 chains. Longest chain 105 peptides. Score 0.950 Round 4: 813 peptides, 19 chains. Longest chain 102 peptides. Score 0.934 Round 5: 817 peptides, 14 chains. Longest chain 103 peptides. Score 0.943 Taking the results from Round 3 Chains 12, Residues 812, Estimated correctness of the model 99.5 % 10 chains (808 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 B and 62 B Built loop between residues 78 G and 84 G 9 chains (817 residues) following loop building 8 chains (815 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7495 restraints for refining 7591 atoms. 738 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 16: After refmac, R = 0.2041 (Rfree = 0.000) for 7591 atoms. Found 108 (108 requested) and removed 88 (77 requested) atoms. Cycle 17: After refmac, R = 0.1955 (Rfree = 0.000) for 7594 atoms. Found 99 (105 requested) and removed 78 (77 requested) atoms. Cycle 18: After refmac, R = 0.1933 (Rfree = 0.000) for 7606 atoms. Found 98 (102 requested) and removed 77 (77 requested) atoms. Cycle 19: After refmac, R = 0.1901 (Rfree = 0.000) for 7618 atoms. Found 90 (99 requested) and removed 69 (77 requested) atoms. Cycle 20: After refmac, R = 0.1878 (Rfree = 0.000) for 7627 atoms. Found 93 (96 requested) and removed 54 (77 requested) atoms. ------------------------------------------------------ Building Cycle 5 Atomic shape factors 2.01 2.04 NCS extension: 0 residues added, 7669 seeds are put forward Round 1: 821 peptides, 17 chains. Longest chain 104 peptides. Score 0.939 Round 2: 829 peptides, 11 chains. Longest chain 105 peptides. Score 0.950 Round 3: 826 peptides, 11 chains. Longest chain 105 peptides. Score 0.949 Round 4: 823 peptides, 15 chains. Longest chain 105 peptides. Score 0.943 Round 5: 824 peptides, 14 chains. Longest chain 105 peptides. Score 0.944 Taking the results from Round 2 Chains 13, Residues 818, Estimated correctness of the model 99.5 % 11 chains (813 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 54 B and 57 B Built loop between residues 60 H and 63 H Built loop between residues 71 H and 75 H 9 chains (824 residues) following loop building 8 chains (820 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7423 restraints for refining 7619 atoms. 613 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 21: After refmac, R = 0.1976 (Rfree = 0.000) for 7619 atoms. Found 93 (93 requested) and removed 86 (77 requested) atoms. Cycle 22: After refmac, R = 0.1904 (Rfree = 0.000) for 7613 atoms. Found 90 (90 requested) and removed 77 (77 requested) atoms. Cycle 23: After refmac, R = 0.1873 (Rfree = 0.000) for 7623 atoms. Found 87 (87 requested) and removed 79 (77 requested) atoms. Cycle 24: After refmac, R = 0.1862 (Rfree = 0.000) for 7621 atoms. Found 84 (84 requested) and removed 54 (77 requested) atoms. Cycle 25: After refmac, R = 0.1853 (Rfree = 0.000) for 7644 atoms. Found 79 (81 requested) and removed 67 (77 requested) atoms. ------------------------------------------------------ Building Cycle 6 Atomic shape factors 2.01 2.04 NCS extension: 0 residues added, 7656 seeds are put forward Round 1: 820 peptides, 19 chains. Longest chain 103 peptides. Score 0.936 Round 2: 829 peptides, 12 chains. Longest chain 105 peptides. Score 0.948 Round 3: 821 peptides, 17 chains. Longest chain 105 peptides. Score 0.939 Round 4: 823 peptides, 15 chains. Longest chain 105 peptides. Score 0.943 Round 5: 819 peptides, 18 chains. Longest chain 102 peptides. Score 0.937 Taking the results from Round 2 Chains 14, Residues 817, Estimated correctness of the model 99.4 % 12 chains (815 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 54 A and 57 A Built loop between residues 93 C and 97 C Built loop between residues 54 B and 57 B Built loop between residues 71 H and 74 H 10 chains (826 residues) following loop building 8 chains (824 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7376 restraints for refining 7596 atoms. 545 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 26: After refmac, R = 0.1955 (Rfree = 0.000) for 7596 atoms. Found 77 (77 requested) and removed 83 (77 requested) atoms. Cycle 27: After refmac, R = 0.1900 (Rfree = 0.000) for 7579 atoms. Found 77 (77 requested) and removed 81 (77 requested) atoms. Cycle 28: After refmac, R = 0.1855 (Rfree = 0.000) for 7572 atoms. Found 77 (77 requested) and removed 50 (77 requested) atoms. Cycle 29: After refmac, R = 0.1830 (Rfree = 0.000) for 7587 atoms. Found 77 (77 requested) and removed 62 (77 requested) atoms. Cycle 30: After refmac, R = 0.1822 (Rfree = 0.000) for 7598 atoms. Found 77 (77 requested) and removed 49 (77 requested) atoms. ------------------------------------------------------ Building Cycle 7 Atomic shape factors 2.02 2.05 NCS extension: 0 residues added, 7627 seeds are put forward Round 1: 820 peptides, 17 chains. Longest chain 105 peptides. Score 0.939 Round 2: 826 peptides, 12 chains. Longest chain 105 peptides. Score 0.948 Round 3: 825 peptides, 15 chains. Longest chain 105 peptides. Score 0.943 Round 4: 818 peptides, 16 chains. Longest chain 103 peptides. Score 0.940 Round 5: 819 peptides, 17 chains. Longest chain 105 peptides. Score 0.939 Taking the results from Round 2 Chains 13, Residues 814, Estimated correctness of the model 99.4 % 12 chains (810 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 59 C and 62 C Built loop between residues 45 B and 48 B Built loop between residues 46 H and 49 H Built loop between residues 71 H and 74 H 9 chains (822 residues) following loop building 8 chains (818 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7413 restraints for refining 7577 atoms. 619 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 31: After refmac, R = 0.1943 (Rfree = 0.000) for 7577 atoms. Found 77 (77 requested) and removed 82 (77 requested) atoms. Cycle 32: After refmac, R = 0.1867 (Rfree = 0.000) for 7564 atoms. Found 77 (77 requested) and removed 77 (77 requested) atoms. Cycle 33: After refmac, R = 0.1831 (Rfree = 0.000) for 7560 atoms. Found 77 (77 requested) and removed 63 (77 requested) atoms. Cycle 34: After refmac, R = 0.1823 (Rfree = 0.000) for 7569 atoms. Found 77 (77 requested) and removed 66 (77 requested) atoms. Cycle 35: After refmac, R = 0.1795 (Rfree = 0.000) for 7574 atoms. Found 77 (77 requested) and removed 51 (77 requested) atoms. ------------------------------------------------------ Building Cycle 8 Atomic shape factors 2.01 2.04 NCS extension: 0 residues added, 7602 seeds are put forward Round 1: 824 peptides, 17 chains. Longest chain 103 peptides. Score 0.940 Round 2: 827 peptides, 12 chains. Longest chain 105 peptides. Score 0.948 Round 3: 822 peptides, 12 chains. Longest chain 105 peptides. Score 0.947 Round 4: 825 peptides, 12 chains. Longest chain 107 peptides. Score 0.948 Round 5: 816 peptides, 15 chains. Longest chain 105 peptides. Score 0.941 Taking the results from Round 4 Chains 15, Residues 813, Estimated correctness of the model 99.4 % 12 chains (807 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 73 C and 76 C Built loop between residues 56 B and 59 B Built loop between residues 60 H and 63 H Built loop between residues 79 H and 84 H 10 chains (821 residues) following loop building 8 chains (817 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7440 restraints for refining 7588 atoms. 660 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 36: After refmac, R = 0.2011 (Rfree = 0.000) for 7588 atoms. Found 77 (77 requested) and removed 87 (77 requested) atoms. Cycle 37: After refmac, R = 0.1882 (Rfree = 0.000) for 7569 atoms. Found 77 (77 requested) and removed 77 (77 requested) atoms. Cycle 38: After refmac, R = 0.1852 (Rfree = 0.000) for 7561 atoms. Found 77 (77 requested) and removed 64 (77 requested) atoms. Cycle 39: After refmac, R = 0.1835 (Rfree = 0.000) for 7571 atoms. Found 77 (77 requested) and removed 68 (77 requested) atoms. Cycle 40: After refmac, R = 0.1813 (Rfree = 0.000) for 7576 atoms. Found 77 (77 requested) and removed 55 (77 requested) atoms. ------------------------------------------------------ Building Cycle 9 Atomic shape factors 2.02 2.05 NCS extension: 0 residues added, 7599 seeds are put forward Round 1: 821 peptides, 17 chains. Longest chain 103 peptides. Score 0.939 Round 2: 827 peptides, 9 chains. Longest chain 105 peptides. Score 0.953 Round 3: 824 peptides, 14 chains. Longest chain 103 peptides. Score 0.944 Round 4: 819 peptides, 16 chains. Longest chain 105 peptides. Score 0.940 Round 5: 817 peptides, 17 chains. Longest chain 105 peptides. Score 0.938 Taking the results from Round 2 Chains 10, Residues 818, Estimated correctness of the model 99.5 % 9 chains (817 residues) have been docked in sequence Building loops using Loopy2018 Built loop between residues 80 E and 83 E 9 chains (820 residues) following loop building 8 chains (819 residues) in sequence following loop building ------------------------------------------------------ 38307 reflections ( 97.84 % complete ) and 7412 restraints for refining 7595 atoms. 627 conditional restraints added. Observations/parameters ratio is 1.26 ------------------------------------------------------ Cycle 41: After refmac, R = 0.1920 (Rfree = 0.000) for 7595 atoms. Found 77 (77 requested) and removed 89 (77 requested) atoms. Cycle 42: After refmac, R = 0.1843 (Rfree = 0.000) for 7573 atoms. Found 77 (77 requested) and removed 79 (77 requested) atoms. Cycle 43: After refmac, R = 0.1824 (Rfree = 0.000) for 7566 atoms. Found 77 (77 requested) and removed 61 (77 requested) atoms. Cycle 44: After refmac, R = 0.1812 (Rfree = 0.000) for 7576 atoms. Found 77 (77 requested) and removed 55 (77 requested) atoms. Cycle 45: After refmac, R = 0.1802 (Rfree = 0.000) for 7594 atoms. Found 77 (77 requested) and removed 53 (77 requested) atoms. ------------------------------------------------------ Building Cycle 10 Atomic shape factors 2.02 2.05 NCS extension: 0 residues added, 7620 seeds are put forward Round 1: 822 peptides, 18 chains. Longest chain 103 peptides. Score 0.938 Round 2: 825 peptides, 10 chains. Longest chain 105 peptides. Score 0.951 Round 3: 822 peptides, 15 chains. Longest chain 105 peptides. Score 0.942 Round 4: 824 peptides, 12 chains. Longest chain 105 peptides. Score 0.948 Round 5: 824 peptides, 15 chains. Longest chain 105 peptides. Score 0.943 Taking the results from Round 2 Last building cycle: Chain fragments will be rearranged Chains 11, Residues 815, Estimated correctness of the model 99.5 % 10 chains (811 residues) have been docked in sequence Sequence coverage is 99 % All DUM atoms will be removed Building loops using Loopy2018 Built loop between residues 71 A and 74 A Built loop between residues 60 E and 63 E 9 chains (819 residues) following loop building 8 chains (815 residues) in sequence following loop building ------------------------------------------------------ ---> Final restrained refinement block. Update only waters. 38307 reflections ( 97.84 % complete ) and 6770 restraints for refining 6644 atoms. Observations/parameters ratio is 1.44 ------------------------------------------------------ Cycle 46: After refmac, R = 0.2542 (Rfree = 0.000) for 6644 atoms. Found 55 (67 requested) and removed 0 (67 requested) atoms. Cycle 47: After refmac, R = 0.2419 (Rfree = 0.000) for 6644 atoms. Found 33 (68 requested) and removed 6 (68 requested) atoms. Cycle 48: After refmac, R = 0.2377 (Rfree = 0.000) for 6644 atoms. Found 18 (68 requested) and removed 4 (68 requested) atoms. Cycle 49: After refmac, R = 0.2351 (Rfree = 0.000) for 6644 atoms. Found 7 (68 requested) and removed 4 (68 requested) atoms. Writing output files ... Normal termination of warpNtrace Mon 24 Dec 01:56:22 GMT 2018 Job finished. TimeTaking 117.17 Used memory is bytes: 4018808