5MAH
Crystal structure of MELK in complex with an 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 | PIXEL |
| Collection date | 2016-10-04 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.976254 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 59.667, 63.704, 90.945 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 43.550 - 2.000 |
| R因子 | 0.1853 |
| Rwork | 0.183 |
| R-free | 0.23715 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house melk structure |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.011 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.439 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0151) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 43.550 | 2.110 |
| 分解能 [Å] (高) | 2.000 | 2.000 |
| Rmerge_l_obs | 0.068 | 0.735 |
| 独立反射数 | 23513 | |
| <I/σ(I)> | 15.4 | 2.5 |
| 完全性 [%] | 98.3 | 98.6 |
| 冗長性 | 5.1 | 4.9 |
| CC(1/2) | 0.999 | 0.824 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 10-20% PEG 3350 or PEG 4000, 0.1 M BIS TRIS pH 6.5, 0.6M NaCl |
