5H8U
Crystal structure of mycobacterium tuberculosis wild-type malate synthase in complex with product malate
Experimental 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 | 2013-11-18 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 120.659, 120.659, 232.224 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.362 - 2.850 |
| R-factor | 0.2285 |
| Rwork | 0.226 |
| R-free | 0.27570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n8i |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.622 |
| Data reduction software | DENZO (HKL3000) |
| Data scaling software | SCALEPACK (HKL3000) |
| Phasing software | REFMAC |
| Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 37.362 | 2.900 |
| High resolution limit [Å] | 2.850 | 2.850 |
| Rmerge | 0.105 | 0.997 |
| Number of reflections | 40032 | |
| <I/σ(I)> | 14.96 | 4.58 |
| Completeness [%] | 98.2 | 100 |
| Redundancy | 14.4 | 13.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG 3350, magnesium chloride, tris |
