2WXG
The crystal structure of the murine class IA PI 3-kinase p110delta in complex with SW13.
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 |
| Detector technology | CCD |
| Collection date | 2008-06-28 |
| Detector | ADSC CCD |
| Spacegroup name | C 1 2 1 |
| 格子定数 [Å] | 141.761, 64.675, 116.721 |
| 格子定数 [度] | 90.00, 102.95, 90.00 |
精密化法
| 残基 | 113.960 - 2.000 |
| R因子 | 0.20724 |
| Rwork | 0.206 |
| R-free | 0.24343 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2rd0 |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.012 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.341 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.5.0046) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 69.010 | 2.020 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.090 | 0.720 |
| 独立反射数 | 69666 | |
| <I/σ(I)> | 15.69 | 1.82 |
| 完全性 [%] | 99.8 | 100 |
| 冗長性 | 7.38 | 7.44 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 6.8 | 20% (V/V) GLYCEROL, 10% (W/V) PEG 4K, 30 MM NANO3, 30 MM NA2HPO4, 30 MM (NH4)2SO4, 100 MM IMIDAZOLE PH 6.8 |
