3OIM
Human Carbonic anhydrase II bound by 2-Ethylestradiol 3-O-sulfamate
Experimental procedure
実験手法 | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2010-06-05 |
Detector | RIGAKU RAXIS IV++ |
Wavelength(s) | 1.5418 |
Spacegroup name | P 1 21 1 |
格子定数 [Å] | 42.187, 41.240, 71.341 |
格子定数 [度] | 90.00, 103.95, 90.00 |
精密化法
残基 | 23.763 - 1.450 |
R因子 | 0.1457 |
Rwork | 0.144 |
R-free | 0.16980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2ili |
結合長の平均二乗偏差(RMSD) [Å] | 0.013 |
結合角の平均二乗偏差(RMSD) [度] | 1.697 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX (1.6.3_467) |
Refinement software | PHENIX ((phenix.refine: 1.6.3_467)) |
Quality characteristics
Overall | Inner shell | Outer shell | |
分解能 [Å] (低) | 50.000 | 50.000 | 1.500 |
分解能 [Å] (高) | 1.450 | 3.120 | 1.450 |
独立反射数 | 39564 | ||
<I/σ(I)> | 29.8 | 32.2 | 4.5 |
完全性 [%] | 93.2 | 99.3 | 77.9 |
冗長性 | 4.4 | 4.6 | 3.5 |
結晶化条件
結晶ID | 方法 | pH | 温度 | 溶液条件 |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 298 | 1.4 M Sodium Citrate, 100 mM Tris, 7.5 mM 2-Ethylestradiol 3-O-sulfamate, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 298K |