2AHB
X-ray crystal structure of R46A,R161A mutant of Mycobacterium tuberculosis FabH
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 110 |
| Detector technology | CCD |
| Collection date | 2004-07-07 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 103.445, 81.412, 97.281 |
| Unit cell angles | 90.00, 106.91, 90.00 |
Refinement procedure
| Resolution | 40.000 - 2.000 |
| Rwork | 0.218 |
| R-free | 0.24800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1m1m |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 51995 | |
| Completeness [%] | 99.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | microbatch under oil | 7.5 | 291 | 0.1 M HEPES, 10% v/v isopropanol, 20% w/v PEG 4000, pH 7.5, microbatch under oil , temperature 291.0K |
