5CAK
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-hydroxy-3-(1H-indol-3-yl)propanoic acid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 8.3.1 |
Synchrotron site | ALS |
Beamline | 8.3.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-11-24 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.987 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.238, 78.238, 223.566 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.580 - 1.990 |
R-factor | 0.167 |
Rwork | 0.164 |
R-free | 0.22100 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.007 |
RMSD bond angle | 1.098 |
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] | 49.583 | 2.100 |
High resolution limit [Å] | 1.990 | 1.990 |
Number of reflections | 48055 | |
<I/σ(I)> | 11.13 | |
Completeness [%] | 99.0 | 95.9 |
Redundancy | 5.6 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 300 | PEG 3350, magnesium chloride, tris |