1H1Q
Structure of human Thr160-phospho CDK2/cyclin A complexed with the inhibitor NU6094
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 73.990, 134.730, 148.120 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 20.000 - 2.500 |
| Rwork | 0.238 |
| R-free | 0.33200 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Refinement software | REFMAC |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 20.000 | 2.590 |
| 分解能 [Å] (高) | 2.500 | 2.500 |
| Rmerge_l_obs | 0.079 | 0.378 |
| Total number of observations | 137122 * | |
| 独立反射数 | 66509 | |
| <I/σ(I)> | 8.2 | 1.9 |
| 完全性 [%] | 94.1 | 80.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | Vapor diffusion, hanging drop * | 7 | pH 7.00 |
文献の結晶化試薬
| ID | 結晶ID | 溶液 | 試薬名 | 濃度 (単位) (単位) | 詳細 |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | DMSO | 5 (%(v/v)) | |
| 3 | 1 | drop | inhibitor | 5 (mM) | |
| 4 | 1 | reservoir | 0.8 (M) | ||
| 5 | 1 | reservoir | ammonium sulfate | 1.2 (M) | |
| 6 | 1 | reservoir | HEPES | 40 (mM) | pH7.0 |
| 7 | 1 | reservoir | dithiothreitol | 5 (mM) |
