6BA7
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-Cl-4-OH-phenyldiketoacid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 |
Temperature [K] | 120 |
Detector technology | CCD |
Collection date | 2012-02-01 |
Detector | BRUKER SMART 6000 |
Wavelength(s) | 1.54 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.673, 79.673, 226.915 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.212 - 2.496 |
R-factor | 0.2525 |
Rwork | 0.250 |
R-free | 0.30880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.002 |
RMSD bond angle | 0.545 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 2.490 |
Rmerge | 0.248 |
Number of reflections | 22429 |
<I/σ(I)> | 10 |
Completeness [%] | 83.8 |
Redundancy | 5.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG3350, MgCl2, TRIS-HCl |