3RV9
Structure of a M. tuberculosis Salicylate Synthase, MbtI, in Complex with an Inhibitor with Ethyl 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 | 87.266, 115.475, 95.468 |
Unit cell angles | 90.00, 91.26, 90.00 |
Refinement procedure
Resolution | 19.840 - 2.140 |
R-factor | 0.2078 |
Rwork | 0.207 |
R-free | 0.22930 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.070 |
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] | 19.840 | 2.200 |
High resolution limit [Å] | 2.140 | 2.140 |
Number of reflections | 101825 | |
Completeness [%] | 99.3 | 98.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 292 | 14% PEG 6000, 0.2M malic acid/KOH, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |