5U69
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(2-methoxyphenyl)methyl]-N,N-dimethyl-4-(1-methylindol-3-yl)pyrrolidin-3-amine
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 | 2013-05-19 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.9795 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 58.047, 85.400, 91.977 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 62.580 - 1.280 |
| R因子 | 0.13405 |
| Rwork | 0.133 |
| R-free | 0.15211 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k0m |
| 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] | 1.424 |
| 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) | 62.580 | 1.330 |
| 分解能 [Å] (高) | 1.280 | 1.280 |
| Rmerge_l_obs | 0.077 | 0.756 |
| 独立反射数 | 118159 | |
| <I/σ(I)> | 9.8 | 2.9 |
| 完全性 [%] | 99.8 | 99.7 |
| 冗長性 | 5.9 | 5.7 |
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 |
