4CIP
Spectroscopically-validated structure of ferrous cytochrome c prime from Alcaligenes xylosoxidans, reduced using ascorbate
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 | 2013-03-12 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 65 2 2 |
Unit cell lengths | 53.716, 53.716, 180.624 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 45.090 - 1.220 |
R-factor | 0.14541 |
Rwork | 0.144 |
R-free | 0.17095 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.014 |
RMSD bond angle | 2.160 |
Data reduction software | XDS |
Data scaling software | SCALA |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.100 | 1.290 |
High resolution limit [Å] | 1.220 | 1.220 |
Rmerge | 0.030 | 0.510 |
Number of reflections | 47035 | |
<I/σ(I)> | 20 | 2.6 |
Completeness [%] | 97.8 | 88.4 |
Redundancy | 4.5 | 3.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.5 | AMMONIUM SULFATE, HEPES PH 7.5 |