8Q21
Crystal structure of Vanadium-dependent haloperoxidase R425S 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 | 2019-07-13 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | F 41 3 2 |
| Unit cell lengths | 306.740, 306.740, 306.740 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 3.300 |
| R-factor | 0.2114 |
| Rwork | 0.210 |
| R-free | 0.23290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 1.216 |
| 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 | 3.400 |
| High resolution limit [Å] | 3.300 | 3.300 |
| Rmerge | 0.119 | 0.641 |
| Number of reflections | 17667 | 1490 |
| <I/σ(I)> | 9.9 | 2.3 |
| Completeness [%] | 92.3 | 94.8 |
| Redundancy | 5.2 | 5.2 |
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 |
