2J4Z
Structure of Aurora-2 in complex with PHA-680626
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 | 2002-01-28 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 71.127, 89.445, 94.037 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 29.580 - 2.000 |
| Rwork | 0.214 |
| R-free | 0.24900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2bmc |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.006 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNX (2002) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.070 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.050 | 0.440 |
| 独立反射数 | 41492 | |
| <I/σ(I)> | 23 | 3.7 |
| 完全性 [%] | 99.9 | 100 |
| 冗長性 | 4.9 | 4.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 6.5 | 30% PEG 5000MME, 0.2M SODIUM ACETATE 0.1M SODIUM CACODYLATE PH 6.5, 2MM DTT |
