3io0 8.06 0.188 0.20337 0.1863 0.2009 0.0068 0.2196 2.75 0.1672 0.1825 0.0061 0.1971 2.39 0.1643 0.1832 0.0062 0.1936 1.68 1.1786 1.50 0.03 0.03 0 0 0 13 4 NA 0 0.727 0.746 0.756 -0.280 -0.277 0.030 -3.312 -3.244 -2.990 -4.838 -4.160 -3.394 -1.481 -1.416 -1.277 0.847 0.504 0.504 0.986 0.871 0.843 22 15 16 20 17 15 NA NA NA REFMAC_5.2.0019 2009 3.00 3.00 86.71 17475 883 5.1 883 10.0 173.41 173.41 173.41 90 90 90 51.85 54.82 ISOT SIMP 1.1 0.8 0.8 1 1 REDO 0 0 'I 21 3' 3 0 2 0 0.036 0.027 0.033 0.854 0.876 0.889 3.00 0.933 0.944 8.43 0.928 0.941 2.16 0.97620 0 86.55 X-ray 100.0 0 0 1 0 2024-03-13 2 0 14 17 11 26 77 83 23 25 15 37 3.625 3.089 1.733 78 79 0 0 0.587 0.537 0.537 0.596 0.607 0.664 0.0511 1.96 1.70 1.24 T F 0 NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA NA 0.9722 0.9658 0.9756 0.9693 0.9762 0.9691 F 1.3 73
