2WXV
Structure of CDK2-CYCLIN A with a Pyrazolo(4,3-h) quinazoline-3- carboxamide inhibitor
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC CCD |
| Spacegroup name | P 62 2 2 |
| 格子定数 [Å] | 185.513, 185.513, 215.180 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 残基 | 29.800 - 2.600 |
| R因子 | 0.211 |
| Rwork | 0.211 |
| R-free | 0.24300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 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] | 1.000 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 30.000 | 2.690 |
| 分解能 [Å] (高) | 2.600 | 2.600 |
| Rmerge_l_obs | 0.090 | 0.560 |
| 独立反射数 | 66956 | |
| <I/σ(I)> | 13 | 2.3 |
| 完全性 [%] | 99.2 | 99 |
| 冗長性 | 4 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 20% AMMONIUM SULPHATE, 1M KCL, 40MM HEPES PH7 |
