2DHQ
3-DEHYDROQUINATE DEHYDRATASE FROM MYCOBACTERIUM TUBERCULOSIS
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SRS BEAMLINE PX9.5 |
| Synchrotron site | SRS |
| Beamline | PX9.5 |
| Temperature [K] | 287 |
| Detector technology | AREA DETECTOR |
| Detector | MARRESEARCH |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 127.680, 127.680, 127.680 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.000 |
| R-factor | 0.147 * |
| Rwork | 0.147 |
| R-free | 0.19600 |
| Structure solution method | MIRAS |
| RMSD bond length | 0.014 |
| RMSD bond angle | 0.033 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MLPHARE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.110 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.062 | 0.102 |
| Total number of observations | 37418 * | |
| Number of reflections | 11412 | |
| <I/σ(I)> | 7.44 | 7 |
| Completeness [%] | 97.4 | 94.6 |
| Redundancy | 3.3 | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Vapor diffusion, sitting drop * | 7.16 * | Gourley, D.G., (1994) Nature Struct. Biol., 241, 488. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 20 (mg/ml) | |
| 2 | 1 | drop | Tris-HCl | 100 (mM) | |
| 3 | 1 | reservoir | PEG6000 | 6 (%) | |
| 4 | 1 | reservoir | Tris-HCl | 100 (mM) |
