1PXO
HUMAN CYCLIN DEPENDENT KINASE 2 COMPLEXED WITH THE INHIBITOR [4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-(3-nitro-phenyl)-amine
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX14.1 |
| Synchrotron site | SRS |
| Beamline | PX14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.488 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 53.489, 71.987, 72.362 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 14.990 - 1.960 |
| R因子 | 0.217 |
| Rwork | 0.217 |
| R-free | 0.23500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1hcl |
| 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] | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.0) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 15.000 | 2.070 |
| 分解能 [Å] (高) | 1.960 | 1.960 |
| Rmerge_l_obs | 0.059 | 0.165 |
| 独立反射数 | 20604 | |
| <I/σ(I)> | 22.4 | 7.7 |
| 完全性 [%] | 99.4 | 99.9 |
| 冗長性 | 10.97 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.8 | 277 | PEG 6000, NA-HEPES, pH 7.8, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
