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 |
