7Y44
Re-refinement of damage free X-ray structure of bovine cytochrome c oxidase at 1.9 angstrom resolution
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | FREE ELECTRON LASER |
Source details | SACLA BEAMLINE BL3 |
Synchrotron site | SACLA |
Beamline | BL3 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2012-06-21 |
Detector | RIGAKU SATURN A200 |
Wavelength(s) | 1.241 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 182.600, 204.510, 178.290 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.312 - 1.900 |
R-factor | 0.1875 |
Rwork | 0.185 |
R-free | 0.22690 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2dyr |
RMSD bond length | 0.018 |
RMSD bond angle | 1.691 |
Data reduction software | MOSFLM |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.330 | 2.000 |
High resolution limit [Å] | 1.900 | 1.900 |
Rmerge | 0.243 | 0.408 |
Rpim | 0.137 | 0.232 |
Number of reflections | 500669 | 71920 |
<I/σ(I)> | 6.7 | 2.1 |
Completeness [%] | 96.2 | 95.1 |
Redundancy | 3.8 | 3.6 |
CC(1/2) | 0.872 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 5.7 | 277 | 40mM sodium phosphate buffer, 0.2% decylmaltoside, 1% PEG 4000, 2% ethylene glycol |