7QVW
R396W mutant 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 BW7B |
Synchrotron site | EMBL/DESY, HAMBURG |
Beamline | BW7B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-05-28 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9076 |
Spacegroup name | P 63 |
Unit cell lengths | 182.148, 182.148, 177.186 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 49.603 - 1.922 |
Rwork | 0.153 |
R-free | 0.18550 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1up8 |
RMSD bond length | 0.010 |
RMSD bond angle | 1.556 |
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] | 49.603 | 1.950 |
High resolution limit [Å] | 1.920 | 1.920 |
Number of reflections | 246831 | 10100 |
<I/σ(I)> | 16.5 | |
Completeness [%] | 97.8 | 80.9 |
Redundancy | 5.6 | 3 |
CC(1/2) | 0.997 | 0.380 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Tris-HCl and 2 M ammonium dihydrogen phosphate at pH 5.0 |