2XRU
AURORA-A T288E COMPLEXED WITH PHA-828300
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-2 |
| Synchrotron site | ESRF |
| Beamline | ID14-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-17 |
| Detector | ADSC CCD |
| Spacegroup name | P 61 2 2 |
| 格子定数 [Å] | 82.467, 82.467, 165.453 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 29.980 - 2.900 |
| R因子 | 0.247 |
| Rwork | 0.247 |
| R-free | 0.34400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.100 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 3.000 |
| 分解能 [Å] (高) | 2.900 | 2.900 |
| Rmerge_l_obs | 0.050 | 0.750 |
| 独立反射数 | 7931 | |
| <I/σ(I)> | 34.6 | 3.2 |
| 完全性 [%] | 99.8 | 99.7 |
| 冗長性 | 10.2 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 5.6 | 15% PEG 5000 MME, 0.2 M LITHIUM SULFATE, 0.1 M SODIUM CITRATE PH 5.6 & 2 MM DTT |
