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 |
