7QW3
R396W mutant of the vanadium-dependent bromoperoxidase from Corallina pilulifera in complex with Br ion.
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 | 2002-12-02 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.9763 |
Spacegroup name | P 63 |
Unit cell lengths | 182.484, 182.484, 177.592 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.996 - 1.780 |
Rwork | 0.143 |
R-free | 0.17130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1up8 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.540 |
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] | 29.996 | 1.810 |
High resolution limit [Å] | 1.780 | 1.780 |
Number of reflections | 309584 | 14892 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 97.0 | |
Redundancy | 2.5 | |
CC(1/2) | 0.993 | 0.690 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M Tris-HBr, pH 7.4, 1.3M ammonium dihydrogen phosphate |