2IPJ
Crystal structure of h3alpha-hydroxysteroid dehydrogenase type 3 mutant Y24A in complex with NADP+ and epi-testosterone
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM30A |
| Synchrotron site | ESRF |
| Beamline | BM30A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-12-03 |
| Detector | MAR CCD 130 mm |
| Wavelength(s) | 1.000 |
| Spacegroup name | H 3 2 |
| 格子定数 [Å] | 144.788, 144.788, 203.885 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 19.980 - 1.800 |
| Rwork | 0.204 |
| R-free | 0.22800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2hdj |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | CNS (1.1) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 19.980 | 1.900 |
| 分解能 [Å] (高) | 1.800 | 1.800 |
| Rmerge_l_obs | 0.068 | 0.278 |
| 独立反射数 | 75736 | |
| <I/σ(I)> | 18.29 | 4.4 |
| 完全性 [%] | 99.7 | 97.6 |
| 冗長性 | 7.4 | 7.4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | hanging drop | 5.6 | 277 | PEG-4000 22%, 0.1M NaCitrate, pH 5.6, hanging drop, temperature 277K |
| 1 | hanging drop | 5.6 | 277 | PEG-4000 22%, 0.1M NaCitrate, pH 5.6, hanging drop, temperature 277K |
| 1 | hanging drop | 5.6 | 277 | PEG-4000 22%, 0.1M NaCitrate, pH 5.6, hanging drop, temperature 277K |
