4MJ3
Haloalkane dehalogenase DmrA from Mycobacterium rhodesiae JS60
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX2 |
| Synchrotron site | Australian Synchrotron |
| Beamline | MX2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-08-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 84.220, 79.079, 95.761 |
| Unit cell angles | 90.00, 92.52, 90.00 |
Refinement procedure
| Resolution | 48.720 - 1.700 |
| R-factor | 0.1665 |
| Rwork | 0.165 |
| R-free | 0.18950 |
| Structure solution method | SAD |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.332 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER (autosol) |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Number of reflections | 134710 | |
| Completeness [%] | 97.6 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 0.1 M bis-Tris propane, pH 6.5, 0.2 M potassium thiocyanate, 16% PEG 3350, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
