2.49 Angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroE) from Vibrio cholerae O1 biovar eltor str. N16961 in complex with shikimate
要素
Shikimate dehydrogenase
キーワード
OXIDOREDUCTASE / Shikimate 5-Dehydrogenase / Shikimate / Structural Genomics / Center for Structural Genomics of Infectious Diseases / CSGID / alpha/beta domain
機能・相同性
機能・相同性情報
shikimate dehydrogenase (NADP+) / shikimate metabolic process / shikimate 3-dehydrogenase (NADP+) activity / chorismate biosynthetic process / aromatic amino acid family biosynthetic process / amino acid biosynthetic process / NADP binding / cytosol 類似検索 - 分子機能
温度: 295 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 5.6 詳細: Protein: 7.5 mg/mL in 10 mM Tris/HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystallization condition: The Classic suite H3 (#87) condition (0.2 M Ammonium acetate, 0.1 M tri-Sodium citrate pH 5.6, 30 ...詳細: Protein: 7.5 mg/mL in 10 mM Tris/HCl pH 8.3, 0.5 M NaCl, 5 mM BME. Crystallization condition: The Classic suite H3 (#87) condition (0.2 M Ammonium acetate, 0.1 M tri-Sodium citrate pH 5.6, 30 % (w/v) PEG4000). Crystal was soaked in 25 mM shikimate. , VAPOR DIFFUSION, SITTING DROP, temperature 295K
解像度: 2.49→28.8 Å / Cor.coef. Fo:Fc: 0.957 / Cor.coef. Fo:Fc free: 0.935 / SU B: 22.894 / SU ML: 0.232 / Isotropic thermal model: isotropic / 交差検証法: THROUGHOUT / ESU R Free: 0.32 / 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
0.24711
1723
5 %
RANDOM
Rwork
0.19338
-
-
-
obs
0.19609
32555
98.68 %
-
all
-
32555
-
-
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