2C1V
CRYSTAL STRUCTURE OF THE DI-HAEM CYTOCHROME C PEROXIDASE FROM PARACOCCUS PANTOTROPHUS - Mixed VALENCE FORM
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID14-1 |
Synchrotron site | ESRF |
Beamline | ID14-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-05-02 |
Detector | ADSC CCD |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 101.370, 141.200, 51.580 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.220 - 1.200 |
R-factor | 0.174 |
Rwork | 0.173 |
R-free | 0.18800 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1e7b |
RMSD bond length | 0.015 |
RMSD bond angle | 1.557 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.1.9999) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 49.000 | 1.240 |
High resolution limit [Å] | 1.200 | 1.200 |
Rmerge | 0.070 | 0.570 |
Number of reflections | 212598 | |
<I/σ(I)> | 23 | 1.7 |
Completeness [%] | 93.0 | 84 |
Redundancy | 6.7 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7.9 | ECHALER ET AL., (2004). ACTA CRYST. D60, 331-333, pH 7.90 |