5U6D
Polycomb protein EED in complex with inhibitor: 2-[4-(4-{(3S,4R)-4-(dimethylamino)-1-[(2-fluoro-6-methylphenyl)methyl]pyrrolidin-3-yl}phenyl)-1H-pyrazol-1-yl]acetamide
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08ID-1 |
| Synchrotron site | CLSI |
| Beamline | 08ID-1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-05-17 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 57.663, 85.161, 91.711 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 62.410 - 1.640 |
| R因子 | 0.14972 |
| Rwork | 0.148 |
| R-free | 0.17769 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5kom |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.007 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.332 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 62.410 | 1.700 |
| 分解能 [Å] (高) | 1.640 | 1.640 |
| Rmerge_l_obs | 0.860 | |
| 独立反射数 | 55938 | |
| <I/σ(I)> | 8 | 2.23 |
| 完全性 [%] | 99.9 | 99.8 |
| 冗長性 | 6 | 5.9 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION | 8.5 | 290 | 3.08M Sodium Formate, 20% Glycerol, 0.1M Tris, pH8.5 |
