8Q20
Crystal structure of Vanadium-dependent haloperoxidase R425D mutant (A. marina)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-11-17 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 1.0 |
Spacegroup name | F 41 3 2 |
Unit cell lengths | 308.380, 308.380, 308.380 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.000 - 3.500 |
R-factor | 0.2253 |
Rwork | 0.224 |
R-free | 0.24430 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 1.214 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.600 |
High resolution limit [Å] | 3.500 | 3.500 |
Rmerge | 0.122 | 0.632 |
Number of reflections | 15830 | 1244 |
<I/σ(I)> | 9.4 | |
Completeness [%] | 96.5 | 96.6 |
Redundancy | 5 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | 0.1 M TRIS, 1.25 M Ammoniumdihydrogenphosphate, 0.5 mM potassium vanadate |