2D1J
Factor Xa in complex with the inhibitor 2-[[4-[(5-chloroindol-2-yl)sulfonyl]piperazin-1-yl] carbonyl]thieno[3,2-b]pyridine n-oxide
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 300 |
| Detector technology | IMAGE PLATE |
| Collection date | 2000-04-01 |
| Detector | RIGAKU RAXIS IIC |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 57.078, 73.122, 79.949 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 25.000 - 2.200 |
| R因子 | 0.18799 |
| Rwork | 0.186 |
| R-free | 0.23219 |
| Structure solution method | RIGID BODY REFINEMENT |
| Starting model (for MR) | 1fax |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.019 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.953 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.2.0005) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 33.250 | 2.280 |
| 分解能 [Å] (高) | 2.200 | 2.200 |
| Rmerge_l_obs | 0.055 | 0.305 |
| 独立反射数 | 17081 | |
| <I/σ(I)> | 14.6 | 4.2 |
| 完全性 [%] | 97.3 | 95.8 |
| 冗長性 | 3.57 | 3.62 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, SEEDING | 5 | 293 | pH 5.00, VAPOR DIFFUSION, SEEDING, temperature 293K |
