2GQ3
mycobacterium tuberculosis malate synthase in complex with magnesium, malate, and coenzyme A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.2.1 |
| Synchrotron site | ALS |
| Beamline | 8.2.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-12-04 |
| Detector | ADSC QUANTUM 210 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 120.380, 120.380, 238.889 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 49.090 - 2.300 |
| R-factor | 0.174 |
| Rwork | 0.178 |
| R-free | 0.24400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n8i |
| RMSD bond length | 0.023 |
| RMSD bond angle | 1.986 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | EPMR (2.5) |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.380 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.090 | 0.350 |
| Number of reflections | 78420 | |
| <I/σ(I)> | 9.7 | 2.9 |
| Completeness [%] | 99.6 | 98.6 |
| Redundancy | 5.3 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 293 | 23% PEG-8000, 14% MPD, 0.2 M magnesium acetate, 0.1 M HEPES, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K, pH 7.50 |
