3RV6
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Phenyl 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 | 2010-07-22 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.748, 91.530, 96.466 |
| Unit cell angles | 90.00, 104.83, 90.00 |
Refinement procedure
| Resolution | 16.720 - 2.040 |
| R-factor | 0.1723 |
| Rwork | 0.171 |
| R-free | 0.20490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.090 |
| 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] | 51.000 | 2.090 |
| High resolution limit [Å] | 2.030 | 2.030 |
| Number of reflections | 54595 | |
| Completeness [%] | 96.4 | 90.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.3 | 292 | 1.3M magnesium sulphate, 0.13M 2-(N-morpholino)ethanesulfonic acid, pH 6.3, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
