2J50
Structure of Aurora-2 in complex with PHA-739358
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-1 |
| Synchrotron site | ESRF |
| Beamline | ID14-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-09-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 75.688, 86.782, 86.829 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 28.530 - 3.000 |
| Rwork | 0.221 |
| R-free | 0.26800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2J4 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.009 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.400 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNX (2000) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 3.110 |
| 分解能 [Å] (高) | 3.000 | 3.000 |
| Rmerge_l_obs | 0.100 | 0.710 |
| 独立反射数 | 11903 | |
| <I/σ(I)> | 14 | 2.4 |
| 完全性 [%] | 100.0 | 100 |
| 冗長性 | 4.7 | 4.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 4.6 | 20% PEG 2000MME, 0.2M LITHIUM SULPHATE, 0.1M SODIUM ACETATE PH 4.6, 2% ISOPROPANOL, 2MM DTT |
