1H0S
3-dehydroquinate dehydratase from Mycobacterium tuberculosis in complex with 3-hydroxyimino-quinic acid
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 | 1999-07-07 |
| Detector | ADSC CCD |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 126.856, 126.856, 126.856 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.550 - 1.700 |
| R-factor | 0.1414 |
| Rwork | 0.137 |
| R-free | 0.17600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dhq |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.690 |
| Rmerge | 0.077 | 0.808 |
| Number of reflections | 117533 | |
| <I/σ(I)> | 12.3 | 2.23 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 6.3 | 3.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.5 | 20% ME2KPEG,0.5M AMMONIUM SULPHATE 0.1M MOPS PH 6.5 |
