5H8M
Crystal structure of Mycobacterium tuberculosis malate synthase C619A, G459A mutant in complex with product malate
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-B |
Synchrotron site | APS |
Beamline | 23-ID-B |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2013-10-22 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 80.263, 80.263, 226.438 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.362 - 2.700 |
R-factor | 0.2309 |
Rwork | 0.226 |
R-free | 0.32240 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.090 |
Data reduction software | DENZO (HKL3000) |
Data scaling software | SCALEPACK (HKL3000) |
Phasing software | REFMAC (CCP4) |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 45.362 | 2.750 |
High resolution limit [Å] | 2.700 | 2.700 |
Rmerge | 0.407 | 0.890 |
Number of reflections | 21051 | |
<I/σ(I)> | 16.75 | 0.84 |
Completeness [%] | 99.7 | 100 |
Redundancy | 19.4 | 17.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 290 | PEG 3350, magnesium chloride, tris |