6FRL
BrvH, a flavin-dependent halogenase from Brevundimonas sp. BAL3
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-3 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-3 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-02-06 |
| Detector | DECTRIS EIGER X 4M |
| Wavelength(s) | 0.96770 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 180.620, 88.350, 70.110 |
| Unit cell angles | 90.00, 99.07, 90.00 |
Refinement procedure
| Resolution | 89.180 - 2.500 |
| R-factor | 0.19687 |
| Rwork | 0.195 |
| R-free | 0.24072 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2aqj 2wet 2oal 5hy5 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.572 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 89.180 | 2.560 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmeas | 0.202 | 1.422 |
| Number of reflections | 36507 | 2688 |
| <I/σ(I)> | 11.89 | 1.84 |
| Completeness [%] | 96.5 | 98 |
| Redundancy | 11.4 | 11.2 |
| CC(1/2) | 0.996 | 0.661 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 277.15 | 0.95 M Na/K tartrate, 0.1 M MES pH 6 streak seeding protein concentration 10 mg/ml drop size 2 uL drop ratio (protein:reservoir) 1:1 |
