7QWI
Vanadate complex of the vanadium-dependent bromoperoxidase from Corallina pilulifera
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 | 2003-02-18 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9200 |
Spacegroup name | P 21 3 |
Unit cell lengths | 199.601, 199.601, 199.601 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 14.965 - 2.150 |
Rwork | 0.144 |
R-free | 0.19450 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1up8 |
RMSD bond length | 0.007 |
RMSD bond angle | 1.333 |
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] | 14.965 | 2.190 |
High resolution limit [Å] | 2.150 | 2.150 |
Number of reflections | 142571 | 2680 |
<I/σ(I)> | 8.1 | |
Completeness [%] | 96.4 | |
Redundancy | 4.9 | |
CC(1/2) | 0.977 | 0.809 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 50 mM Tris-H2SO4, pH 6.8, 0.4M KBr, 1mM Na3VO4, 20% PEG 6000 |