マシュー密度: 2.68 Å3/Da / 溶媒含有率: 53.8 % 解説: 1) Working and test sets were not combined during the last cycles of refinement. 2) OVERALL B-VALUES: B11=B12=B22=2.5 B33=-4.99 B13=B23=0.00
解像度: 1.45→23 Å / Isotropic thermal model: TNT BCORRELATION LIBRARY / 交差検証法: THROUGHOUT / σ(F): 0 / 立体化学のターゲット値: TNT'S TNTGEO_V010.DAT 詳細: THE USE OF RFREE FOR THIS STRUCTURE during refinement was not very valid since the starting model had been refined against 1.75 Angstrom room temperature data (~15000 reflections). ...詳細: THE USE OF RFREE FOR THIS STRUCTURE during refinement was not very valid since the starting model had been refined against 1.75 Angstrom room temperature data (~15000 reflections). Nonetheless, for the benefit of future workers, this structure (1LW9) was NOT refined against both the test and working sets during the final stage of refinement.