5X1F
CO bound cytochrome c oxidase without pump laser irradiation at 278K
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 | 2015-10-12 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.23970 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 184.806, 208.488, 177.885 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.000 - 2.200 |
R-factor | 0.174 |
Rwork | 0.172 |
R-free | 0.20890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3ag1 |
RMSD bond length | 0.018 |
RMSD bond angle | 2.042 |
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] | 25.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.128 | 0.230 |
Number of reflections | 335213 | 16601 |
<I/σ(I)> | 15.27 | 2.98 |
Completeness [%] | 97.0 | 97.1 |
Redundancy | 105.91 | 26.32 |
CC(1/2) | 0.964 | 0.825 |
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 |