1H05
3-DEHYDROQUINATE DEHYDRATASE FROM MYCOBACTERIUM TUBERCULOSIS IN COMPLEX WITH SULPHATE
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.6 |
| Synchrotron site | SRS |
| Beamline | PX9.6 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 1999-02-04 |
| Detector | ADSC CCD |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 126.635, 126.635, 126.635 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.500 |
| Rwork | 0.139 |
| R-free | 0.19100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dhq |
| RMSD bond length | 0.025 * |
| RMSD bond angle | 1.000 * |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 1.530 |
| High resolution limit [Å] | 1.450 * | 1.500 |
| Rmerge | 0.039 | 0.832 |
| Total number of observations | 85115 * | |
| Number of reflections | 24274 | |
| <I/σ(I)> | 20.3 | |
| Completeness [%] | 89.9 | 32.7 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.5 | 30% MPD, 0.5M AMMONIUM SULPHATE 0.1M HEPES PH 7.5 |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | reservoir | MPD | 30 (%) | |
| 3 | 1 | reservoir | ammonium sulfate | 0.5 (M) | |
| 4 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
