7XMA
Crystal structure of Bovine heart cytochrome c oxidase, apo structure with DMSO
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SPRING-8 BEAMLINE BL26B1 |
Synchrotron site | SPring-8 |
Beamline | BL26B1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-11-04 |
Detector | RAYONIX MX225HE |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 181.800, 203.577, 177.859 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.970 - 2.200 |
R-factor | 0.1869 |
Rwork | 0.185 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5b1a |
RMSD bond length | 0.003 |
RMSD bond angle | 0.872 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | REFMAC (5) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 29.970 | 2.330 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.069 | 0.327 |
Rmeas | 0.327 | |
Rpim | 0.070 | 0.385 |
Number of reflections | 644464 | 103395 |
<I/σ(I)> | 15.96 | 4.36 |
Completeness [%] | 99.4 | 99.2 |
Redundancy | 3.87 | 3.68 |
CC(1/2) | 0.998 | 0.938 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | BATCH MODE | 6.8 | 277 | sodium phosphate, PEG4000, decyl maltoside, ethylene glycol, DMSO |