3RV7
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Isopropyl R-Group
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 |
| Temperature [K] | 110 |
| Detector technology | IMAGE PLATE |
| Collection date | 2010-09-27 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 86.667, 113.939, 95.230 |
| Unit cell angles | 90.00, 91.41, 90.00 |
Refinement procedure
| Resolution | 19.780 - 2.500 |
| R-factor | 0.1863 |
| Rwork | 0.184 |
| R-free | 0.22180 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.160 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.8.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.780 | 2.640 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 63720 | |
| Completeness [%] | 99.6 | 99.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 12% PEG 6000, 0.2M Malic acid/KOH, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
