2CIV
Chloroperoxidase bromide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARRESEARCH |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.500, 150.800, 100.350 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.780 - 1.800 |
| R-factor | 0.16 |
| Rwork | 0.159 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cpo |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.334 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 1.850 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.060 | 0.110 |
| Number of reflections | 77290 | |
| <I/σ(I)> | 14.4 | 8.2 |
| Completeness [%] | 98.4 | 94 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.6 | 22 % PEG3000, 0.1 M KBR, 0.1 M CITRATE PH 3.6 |
