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 |