温度: 291 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 5.5 詳細: 25% PEG-3350, 0.1 M ammonium sulfate, 0.1 M bis-tris. Crystal was soaked for 2 days in a 0.001 M solution of the ligand., pH 5.5, vapor diffusion, sitting drop, temperature 291K
解像度: 2.15→29.58 Å / Cor.coef. Fo:Fc: 0.926 / Cor.coef. Fo:Fc free: 0.899 / Occupancy max: 1 / Occupancy min: 0.5 / SU B: 5.229 / SU ML: 0.134 / 交差検証法: THROUGHOUT / σ(F): 0 / ESU R: 0.218 / ESU R Free: 0.191 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY Ligand geometry restraints were prepared on the PRODRG server. The program COOT and the MOLPROBITY server were ...詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES: REFINED INDIVIDUALLY Ligand geometry restraints were prepared on the PRODRG server. The program COOT and the MOLPROBITY server were also used during refinement.
Rfactor
反射数
%反射
Selection details
Rfree
0.267
1348
5.1 %
RANDOM
Rwork
0.2309
-
-
-
obs
0.2327
26655
99.5 %
-
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