6AU9
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with dioxine-phenyldiketoacid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 23-ID-D |
Synchrotron site | APS |
Beamline | 23-ID-D |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2010-06-19 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.071, 78.071, 223.463 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.493 - 2.100 |
R-factor | 0.1648 |
Rwork | 0.163 |
R-free | 0.19900 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.007 |
RMSD bond angle | 0.836 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | MOLREP |
Refinement software | PHENIX (1.11.1_2575) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.218 | 1.439 |
Number of reflections | 41626 | 2053 |
<I/σ(I)> | 7.3 | |
Completeness [%] | 99.9 | 99.8 |
Redundancy | 14 | 14.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG3350, MgCl2, TRIS-HCl |