4BKZ
Crystal structure of unphosphorylated Maternal Embryonic Leucine zipper Kinase (MELK) in complex with a benzodipyrazole inhibitor
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 | 2010-04-15 |
| Detector | ADSC QUANTUM 4 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 60.440, 63.150, 95.310 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 52.640 - 2.200 |
| R因子 | 0.20068 |
| Rwork | 0.199 |
| R-free | 0.24023 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zmu |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.010 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.577 |
| 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) | 60.440 | 2.320 |
| 分解能 [Å] (高) | 2.200 | 2.200 |
| Rmerge_l_obs | 0.070 | 0.480 |
| 独立反射数 | 18810 | |
| <I/σ(I)> | 11.6 | 3.2 |
| 完全性 [%] | 98.7 | 99.5 |
| 冗長性 | 4.5 | 4.6 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | 10% PEG 3350, 0.1M BIS-TRIS PH 6.5, 0.2M SODIUM CHLORIDE |
