4Q5J
Crystal structure of SeMet derivative BRI1 in complex with BKI1
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-14 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9789 |
| Spacegroup name | P 1 21 1 |
| 格子定数 [Å] | 63.715, 80.288, 80.557 |
| 格子定数 [度] | 90.00, 109.55, 90.00 |
精密化法
| 残基 | 38.409 - 2.772 |
| R因子 | 0.2035 |
| Rwork | 0.201 |
| R-free | 0.25890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4oh4 |
| 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] | 1.518 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 50.000 | 2.870 |
| 分解能 [Å] (高) | 2.770 | 2.770 |
| Rmerge_l_obs | 0.102 | 0.556 |
| 独立反射数 | 19437 | |
| <I/σ(I)> | 22.6 | 4.1 |
| 完全性 [%] | 99.8 | 99.3 |
| 冗長性 | 7.4 | 7.1 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 20% PEG 3350, 0.2M ithium Citrate, 0.1M Hepes, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |
