2J18
Chloroperoxidase mixture of ferric and ferrous states (low dose data set)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 90 |
Detector technology | CCD |
Detector | MARRESEARCH |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 57.730, 150.460, 100.750 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.750 - 1.750 |
R-factor | 0.175 |
Rwork | 0.174 |
R-free | 0.20600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1cpo |
RMSD bond length | 0.012 |
RMSD bond angle | 1.376 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.800 |
High resolution limit [Å] | 1.750 | 1.750 |
Rmerge | 0.130 | 0.390 |
Number of reflections | 185512 | |
<I/σ(I)> | 10.9 | 6.3 |
Completeness [%] | 95.5 | 95.3 |
Redundancy | 4.3 | 3.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 3.4 | 50MM KBR, 20% PEG3000, 0.1 M SODIUM CITRATE PH3.4, pH 3.40 |