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 |