5T8G
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-oxo-4-((thiophene-2-carbonyl)oxy)butanoic acid
Replaces: 5C9TExperimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-04-16 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97915 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 78.850, 78.850, 224.934 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.011 - 2.040 |
| R-factor | 0.1644 |
| Rwork | 0.162 |
| R-free | 0.20840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n8i |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.061 |
| Data reduction software | HKL-3000 |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.780 | 2.080 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.574 | |
| Number of reflections | 46135 | |
| <I/σ(I)> | 23.3 | 4.07 |
| Completeness [%] | 99.4 | 99.1 |
| Redundancy | 13.5 | 11.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG3350, MgCl2, tris buffer |
