5YXL
A ligand M binding to FXR
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 293 |
| Detector technology | CCD |
| Collection date | 2015-12-25 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.05 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 35.509, 117.341, 151.137 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 92.690 - 2.240 |
| R因子 | 0.214 |
| Rwork | 0.214 |
| R-free | 0.22330 |
| Structure solution method | MOLECULAR REPLACEMENT |
| 結合長の平均二乗偏差(RMSD) [Å] | 0.019 |
| 結合角の平均二乗偏差(RMSD) [度] | 1.947 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 92.700 | 10.000 |
| 分解能 [Å] (高) | 2.240 | 2.240 |
| 独立反射数 | 31434 | |
| <I/σ(I)> | 32.4 | |
| 完全性 [%] | 99.9 | |
| 冗長性 | 10.8 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | 2% v/v Tacsimate pH 7.0, 0.1M HEPES pH 7.5, 20% w/v Polyethylene glycol 3350 |
