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 |