4RAS
Reductive dehalogenase structure suggests a mechanism for B12-dependent dehalogenation
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-05-01 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 0.97 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 177.340, 171.510, 109.020 |
| Unit cell angles | 90.00, 98.87, 90.00 |
Refinement procedure
| Resolution | 76.900 - 2.300 |
| R-factor | 0.18244 |
| Rwork | 0.181 |
| R-free | 0.20658 |
| Structure solution method | SAD |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.066 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MLPHARE |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 76.900 | 2.350 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Number of reflections | 133721 | |
| <I/σ(I)> | 9.2 | 1.5 |
| Completeness [%] | 98.8 | 99.6 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | 0.2 M potassium thiocyanate, 0.1M sodium cacodylate, 8% PEG 20K 8 % PEG 550 MME, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
