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 |
