2O2H
Crystal structure of haloalkane dehalogenase Rv2579 from Mycobacterium tuberculosis complexed with 1,2-dichloroethane
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-1 |
Synchrotron site | SSRL |
Beamline | BL9-1 |
Detector technology | CCD |
Collection date | 2006-05-07 |
Detector | ADSC QUANTUM 315 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 62.120, 64.460, 134.210 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.260 - 1.600 |
R-factor | 0.145 |
Rwork | 0.143 |
R-free | 0.17300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1mj5 |
RMSD bond length | 0.023 |
RMSD bond angle | 1.942 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | PHASER |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.086 | 0.554 |
Number of reflections | 35880 | |
<I/σ(I)> | 8 | 3.28 |
Completeness [%] | 99.6 | 99.9 |
Redundancy | 5 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG 4000, 0.2M magnesium acetate, 0.1M Tris, 5% ethylene glycol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 298 | 30% PEG 4000, 0.2M magnesium acetate, 0.1M Tris, 5% ethylene glycol, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |