5FTQ
Crystal structure of the ALK kinase domain in complex with Cmpd 17
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2007-12-06 |
| Detector | ADSC CCD |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 52.254, 58.312, 104.882 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 50.960 - 1.700 |
| R因子 | 0.17543 |
| Rwork | 0.173 |
| R-free | 0.21995 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xba |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.023 |
| 結合角の平均二乗偏差(RMSD) [度] | 2.215 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 58.320 | 1.790 |
| 分解能 [Å] (高) | 1.700 | 1.700 |
| Rmerge_l_obs | 0.050 | 0.280 |
| 独立反射数 | 34703 | |
| <I/σ(I)> | 19.6 | 4.1 |
| 完全性 [%] | 97.0 | 96.5 |
| 冗長性 | 4.2 | 4.3 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 18% PEG3350, 0.1 M TRIS/HCL PH 8.5 |
