4CDA
Spectroscopically-validated structure of ferric cytochrome c prime from Alcaligenes xylosoxidans
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2012-03-28 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 53.354, 53.354, 180.992 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 46.210 - 1.300 |
R-factor | 0.15567 |
Rwork | 0.154 |
R-free | 0.17935 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2yli |
RMSD bond length | 0.012 |
RMSD bond angle | 2.078 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.210 | 1.370 |
High resolution limit [Å] | 1.300 | 1.300 |
Rmerge | 0.110 | 0.650 |
Number of reflections | 38076 | |
<I/σ(I)> | 7 | 2.1 |
Completeness [%] | 99.1 | 99.7 |
Redundancy | 4.2 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | AMMONIUM SULFATE, HEPES PH 7.5 |