7QYY
Vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with chloride
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | EMBL/DESY, HAMBURG BEAMLINE BW7A |
| Synchrotron site | EMBL/DESY, HAMBURG |
| Beamline | BW7A |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2002-01-15 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.84820 |
| Spacegroup name | P 63 |
| Unit cell lengths | 182.115, 182.115, 177.602 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.962 - 1.999 |
| Rwork | 0.146 |
| R-free | 0.19280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1up8 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.772 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.000 | 2.070 |
| High resolution limit [Å] | 1.999 | 1.999 |
| Rmerge | 0.063 | 0.219 |
| Number of reflections | 218890 | 20725 |
| <I/σ(I)> | 11.2 | 2.7 |
| Completeness [%] | 97.4 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 291 | 0.1M Tris-HBr, pH 7.4, 1.3M ammonium dihydrogen phosphate |
