マシュー密度: 2.06 Å3/Da / 溶媒含有率: 40.19 % / 解説: Crystals were grown as long rods
結晶化
温度: 293 K / 手法: 蒸気拡散法, シッティングドロップ法 / pH: 6 詳細: Activated hepsin was incubated with 10 mM Benzamidine at 4 oC for 2 hours and concentrated to7 mg/ml using 10 KDa cut off centricon [Millipore]. 1microlit of protein was mixed with 1 microlit ...詳細: Activated hepsin was incubated with 10 mM Benzamidine at 4 oC for 2 hours and concentrated to7 mg/ml using 10 KDa cut off centricon [Millipore]. 1microlit of protein was mixed with 1 microlit of reservoir buffer containing 100 mM sodium Cacodylate (6.0), 22% PEG 3350, and 200 mM ammonium fluoride. Plate clusters with a dimension of 50 micron m x 100 micron m were observed after 2 days of crystallization set up. PH範囲: 5.8 - 6.3
解像度: 2.5→58.63 Å / Cor.coef. Fo:Fc: 0.935 / Cor.coef. Fo:Fc free: 0.859 / SU B: 10.623 / SU ML: 0.246 / 交差検証法: THROUGHOUT / ESU R Free: 0.399 / 立体化学のターゲット値: MAXIMUM LIKELIHOOD 詳細: THE REASON FOR POOR ELECTRON DENSITY IS THAT THE REGION BETWEEN A LEU 158 AND RESIDUE A ILE 163 HIGHLY DISORDERED AND HENCE THE ATOMS POSITIONS ARE NOT STABILIZED IN THE CRYSTAL. HYDROGENS ...詳細: THE REASON FOR POOR ELECTRON DENSITY IS THAT THE REGION BETWEEN A LEU 158 AND RESIDUE A ILE 163 HIGHLY DISORDERED AND HENCE THE ATOMS POSITIONS ARE NOT STABILIZED IN THE CRYSTAL. HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS
Rfactor
反射数
%反射
Selection details
Rfree
0.2815
485
4.8 %
RANDOM
Rwork
0.18714
-
-
-
obs
0.19165
9554
86.66 %
-
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