2E3J
The crystal structure of epoxide hydrolase B (Rv1938) from mycobacterium tuberculosis at 2.1 angstrom
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2005-09-24 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.115869 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 66.258, 66.258, 157.109 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.280 - 2.100 |
| Rwork | 0.235 |
| R-free | 0.27600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | RESIDUES 245-541 (C-TREMINAL DOMAIN) of PDB ID 1EK1 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.260 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | PHASER |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.280 | 2.180 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Number of reflections | 20701 | |
| <I/σ(I)> | 2.1 | |
| Completeness [%] | 97.4 | 80.4 |
| Redundancy | 6.5 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.5 | 295 | 20% 2-PROPANOL, 0.2M CaCl2, 0.1M sodium acetate buffer, protein concentration 5-10mg/ml, pH 4.5, VAPOR DIFFUSION, HANGING DROP, temperature 295K |
