2CIW
Chloroperoxidase iodide complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-12-10 |
| Detector | ADSC CCD |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 57.650, 151.400, 100.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.460 - 1.150 |
| R-factor | 0.15 |
| Rwork | 0.149 |
| R-free | 0.17100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1cpo |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.528 |
| 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 | 1.180 |
| High resolution limit [Å] | 1.150 | 1.150 |
| Rmerge | 0.060 | 0.390 |
| Number of reflections | 155598 | |
| <I/σ(I)> | 10.6 | 3.2 |
| Completeness [%] | 97.8 | 94.3 |
| Redundancy | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 3.6 | 20 % PEG 3350, 50 MM NAI, 0.1 M SODIUM CITRATE PH 3.6 |
