5C9W
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with (Z)-N-(2-bromophenyl)-2-(hydroxyimino)acetamide
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] | 120 |
Detector technology | CCD |
Collection date | 2012-06-11 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.987 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.206, 78.206, 223.815 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.430 - 2.093 |
R-factor | 0.179 |
Rwork | 0.176 |
R-free | 0.23500 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.055 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | REFMAC |
Refinement software | PHENIX (1.8.2_1309) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.426 | 2.110 |
High resolution limit [Å] | 2.093 | 2.070 |
Rmerge | 0.203 | 0.724 |
Number of reflections | 38318 | |
<I/σ(I)> | 14.7 | |
Completeness [%] | 96.0 | 98.9 |
Redundancy | 5.6 | 8.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | PEG 3350, magnesium chloride, tris |