1H0R
Type II Dehydroquinase from Mycobacterium tuberculosis complexed with 2,3-anhydro-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 | 1999-06-13 |
| Detector | ADSC CCD |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 126.879, 126.879, 126.879 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 72.550 - 2.100 |
| Rwork | 0.144 |
| R-free | 0.21600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dhq |
| RMSD bond length | 0.026 |
| RMSD bond angle | 2.191 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rmerge | 0.111 | 0.742 |
| Number of reflections | 43406 | |
| <I/σ(I)> | 9.6 | 1.75 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 4.4 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.5 | 15% PEG 8K, 0.2M NA/K PHOSPHATE 0.1M TRIS, pH 8.50 |
