6NMP
SFX structure of oxidized 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 | 15.000 - 2.900 |
R-factor | 0.19428 |
Rwork | 0.192 |
R-free | 0.24357 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyr |
RMSD bond length | 0.011 |
RMSD bond angle | 1.666 |
Data reduction software | CrystFEL |
Data scaling software | CrystFEL |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0189) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 15.000 | 2.972 |
High resolution limit [Å] | 2.900 | 2.900 |
Number of reflections | 150666 | 10677 |
<I/σ(I)> | 2.8 | 0.43 |
Completeness [%] | 99.6 | |
Redundancy | 204 | |
CC(1/2) | 0.928 | 0.149 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.8 | 277 | 36 hour crystallization in a cold room with stirring |