3W36
Crystal structure of holo-type bacterial Vanadium-dependent chloroperoxidase
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.2 |
| Synchrotron site | ALS |
| Beamline | 8.2.2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-12-10 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 57.530, 135.090, 159.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 38.410 - 1.970 |
| R-factor | 0.20649 |
| Rwork | 0.205 |
| R-free | 0.24304 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3w35 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.857 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.030 | 1.860 |
| High resolution limit [Å] | 1.760 | 1.760 |
| Number of reflections | 112058 | |
| Completeness [%] | 90.6 | 70.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 277 | 0.1M HEPES-Na, 0.3M ammonium acetate, 8% PEG 8000, 2mM DTT, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 277K |
