タイプ: Peptide-like / クラス: 酵素阻害剤 / 分子量: 447.912 Da / 分子数: 2 / 由来タイプ: 合成 / 式: C22H26ClN3O5 詳細: The chlorormethyl ketone inhibitor linked to the protein through two covalent bonds with the active site serine and histidine 参照: Z-GLY-GLY-PHE-CHLOROMETHYL KETONE (BOUND FORM)
温度: 293 K / 手法: 蒸気拡散法, ハンギングドロップ法 / pH: 5 詳細: 78 mM sodium acetate buffer, 2.2% w/v PEG Mw4000, 5.2 mM dithiothreitol, 0.34 mM EDTA. Protein crystals were soaked in the inhibitor solution., pH 5.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K
解像度: 2.55→19.85 Å / Cor.coef. Fo:Fc: 0.903 / Cor.coef. Fo:Fc free: 0.861 / SU B: 23.075 / SU ML: 0.256 / Isotropic thermal model: Isotropic / 交差検証法: THROUGHOUT / ESU R Free: 0.373 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD / 詳細: HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.25963
3441
5 %
RANDOM, IMPORTED FROM ISOSTRUCTURAL DATA SET OF PDB ENTRY 3O4H.
Rwork
0.21152
-
-
-
obs
0.21398
64833
86.52 %
-
all
-
64833
-
-
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: BABINET MODEL WITH MASK