6NMF
SFX structure of reduced cytochrome c oxidase at room temperature
Experimental procedure
| 実験手法 | SINGLE WAVELENGTH |
| Source type | FREE ELECTRON LASER |
| Source details | SLAC LCLS BEAMLINE MFX |
| Synchrotron site | SLAC LCLS |
| Beamline | MFX |
| Temperature [K] | 293 |
| Detector technology | PIXEL |
| Collection date | 2016-12-07 |
| Detector | CS-PAD XPP |
| Wavelength(s) | 1.306 |
| Spacegroup name | P 21 21 21 |
| 格子定数 [Å] | 178.700, 189.800, 211.300 |
| 格子定数 [度] | 90.00, 90.00, 90.00 |
精密化法
| 残基 | 15.000 - 2.800 |
| R因子 | 0.17879 |
| Rwork | 0.176 |
| R-free | 0.23210 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5b1b |
| 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] | 1.775 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0189) |
Quality characteristics
| Overall | Outer shell | |
| 分解能 [Å] (低) | 15.000 | 2.870 |
| 分解能 [Å] (高) | 2.800 | 2.800 |
| 独立反射数 | 166575 | 11900 |
| <I/σ(I)> | 3.6 | 0.41 |
| 完全性 [%] | 99.3 | 99.98 |
| 冗長性 | 273 | |
| CC(1/2) | 0.971 | 0.150 |
結晶化条件
| 結晶ID | 方法 | pH | 温度 | 溶液条件 |
| 1 | BATCH MODE | 6.8 | 277 | 36 hour crystallization in a cold room with stirring |
