モノクロメーター: Curved crystal of silicon (111), asymmetrical cut. Asymmetry angle 7.25 , condensed mode. Range of photon energies of X-ray: 6 keV-12 keV (2 1 ). Dimensions: 250 mm x 50 mm (at the base) x 1 mm. プロトコル: SINGLE WAVELENGTH / 単色(M)・ラウエ(L): M / 散乱光タイプ: x-ray
解像度: 2.3→10.29 Å / Cor.coef. Fo:Fc: 0.925 / Cor.coef. Fo:Fc free: 0.893 / WRfactor Rfree: 0.2782 / WRfactor Rwork: 0.2413 / Occupancy max: 1 / Occupancy min: 1 / FOM work R set: 0.8025 / SU R Cruickshank DPI: 0.1119 / SU Rfree: 0.0592 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.112 / ESU R Free: 0.059 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN USED IF PRESENT IN THE INPUT U VALUES : REFINED INDIVIDUALLY
Rfactor
反射数
%反射
Selection details
Rfree
0.2668
506
5 %
RANDOM
Rwork
0.2258
-
-
-
obs
0.228
10109
99.67 %
-
溶媒の処理
イオンプローブ半径: 0.8 Å / 減衰半径: 0.8 Å / VDWプローブ半径: 1.2 Å / 溶媒モデル: MASK