4CJO
Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced at 180K using X-rays
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 180 |
Detector technology | PIXEL |
Collection date | 2013-03-12 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 53.675, 53.675, 181.812 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.480 - 1.550 |
R-factor | 0.23222 |
Rwork | 0.231 |
R-free | 0.25119 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.014 |
RMSD bond angle | 2.065 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.500 | 1.580 |
High resolution limit [Å] | 1.550 | 1.550 |
Rmerge | 0.060 | 0.660 |
Number of reflections | 21722 | |
<I/σ(I)> | 12.5 | 2.4 |
Completeness [%] | 93.9 | 96 |
Redundancy | 4.7 | 4.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | AMMONIUM SULPHATE, HEPES PH 7.5 |