6NKN
Time-resolved SFX structure of the PR intermediate of cytochrome c oxidase at room temperature
Experimental procedure
| Experimental method | 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 |
| Unit cell lengths | 178.700, 189.800, 211.300 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.500 - 2.500 |
| R-factor | 0.17777 |
| Rwork | 0.176 |
| R-free | 0.21736 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dyr |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.696 |
| Data reduction software | CrystFEL |
| Data scaling software | CrystFEL |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 10.500 | 2.561 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 231448 | 16305 |
| <I/σ(I)> | 5.1 | 0.56 |
| Completeness [%] | 98.5 | 100 |
| Redundancy | 1038 | |
| CC(1/2) | 0.989 | 0.168 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 6.8 | 277 | 36 hour crystallization in a cold room with stirring |
