5X1B
CO bound cytochrome c oxidase at 20 nsec after pump laser irradiation to release CO from O2 reduction center
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL3 |
Synchrotron site | SACLA |
Beamline | BL3 |
Temperature [K] | 277 |
Detector technology | CCD |
Collection date | 2015-06-20 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.24020 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 185.849, 209.485, 179.524 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.400 |
R-factor | 0.1843 |
Rwork | 0.182 |
R-free | 0.22960 |
RMSD bond length | 0.013 |
RMSD bond angle | 1.832 |
Data scaling software | cctbx.prime |
Phasing software | REFMAC (5.8.0048) |
Refinement software | REFMAC (5.8.0048) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 14.990 | 2.440 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.162 | 0.413 |
Number of reflections | 266141 | 10691 |
<I/σ(I)> | 6.28 | |
Completeness [%] | 98.2 | 79.6 |
Redundancy | 63.23 | 4.61 |
CC(1/2) | 0.958 | 0.497 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.8 | 277 | 40 mM sodium phosphate, 0.2% decyl maltoside, 2% ethylene glycol, PEG 4000 |