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 |
