5U8F
Polycomb protein EED in complex with inhibitor: (3R,4S)-1-[(1S)-7-fluoro-2,3-dihydro-1H-inden-1-yl]-N,N-dimethyl-4-(1-methyl-1H-indol-3-yl)pyrrolidin-3-amine
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-01-29 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 57.645, 85.108, 91.514 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 62.320 - 1.343 |
| R因子 | 0.15385 |
| Rwork | 0.153 |
| R-free | 0.17633 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5k0m |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.008 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.369 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 85.108 | 1.347 |
| 分解能 [Å] (高) | 1.343 | 1.343 |
| Rmerge_l_obs | 0.055 | 0.813 |
| 独立反射数 | 100101 | |
| <I/σ(I)> | 18.3 | 2.1 |
| 完全性 [%] | 99.2 | 99.4 |
| 冗長性 | 6.5 | 6.2 |
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 |
