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 |