1N8W
Biochemical and Structural Studies of Malate Synthase from Mycobacterium tuberculosis
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 14-BM-C |
| Synchrotron site | APS |
| Beamline | 14-BM-C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2000-12-15 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 120.985, 120.985, 232.787 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 * - 2.700 |
| R-factor | 0.2002 |
| Rwork | 0.190 |
| R-free | 0.28700 * |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.186 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.24) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.690 |
| High resolution limit [Å] | 2.700 * | 2.600 |
| Rmerge | 0.057 * | 0.330 * |
| Total number of observations | 397417 * | |
| Number of reflections | 51936 | |
| Completeness [%] | 96.2 | 95.2 * |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 * | 292 | Ammonium Sulphate, MES pH 6.5, Dioxane, magnesium chloride, acetyl coenzyme A, glyoxylate, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 9 (mg/ml) | |
| 2 | 1 | drop | acetyl-CoA | 2 (mM) | |
| 3 | 1 | drop | glyoxylate | 2 (mM) | |
| 4 | 1 | drop | Tris-HCl | 20 (mM) | pH8.0 |
| 5 | 1 | reservoir | ammonium sulfate | 1.6 (M) | |
| 6 | 1 | reservoir | MES | 0.1 (M) | pH6.5 |
| 7 | 1 | reservoir | dioxane | 10 (%) |
