4ENY
Crystal Structure of Pim-1 kinase in complex with (2E,5Z)-2-(2-chlorophenylimino)-5-(4-hydroxy-3-methoxybenzylidene)thiazolidin-4-one
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2009-09-10 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.54 |
| Spacegroup name | P 65 |
| 格子定数 [Å] | 96.765, 96.765, 80.963 |
| 格子定数 [度] | 90.00, 90.00, 120.00 |
精密化法
| 分解能 | 31.674 - 2.801 |
| R因子 | 0.1751 |
| Rwork | 0.173 |
| R-free | 0.22360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3umx |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.005 |
| 結合角の平均二乗偏差(RMSD) [度] | 0.777 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.2.25) |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX (1.7.3_928) |
Quality characteristics
| Overall | Inner shell | Outer shell | |
| 分解能 [Å] (低) | 37.216 | 37.216 | 2.950 |
| 分解能 [Å] (高) | 2.801 | 8.850 | 2.800 |
| Rmerge_l_obs | 0.079 | 0.022 | 0.403 |
| Rmeas | 0.023 | 0.420 | |
| Rpim | 0.007 | 0.118 | |
| Total number of observations | 4121 | 19422 | |
| 独立反射数 | 10721 | ||
| <I/σ(I)> | 29.6 | 76.8 | 6.8 |
| 完全性 [%] | 100.0 | 98.8 | 100 |
| 冗長性 | 12.5 | 11.6 | 12.5 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 293 | 100mM Citrate buffer, pH 5.5, 200mM NaCl, 1M NH4HPO4, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
