6AXB
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-naphthyldiketoacid
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 120 |
Detector technology | PIXEL |
Collection date | 2007-11-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 79.941, 79.941, 225.146 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.152 - 1.800 |
R-factor | 0.2028 |
Rwork | 0.200 |
R-free | 0.25250 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.007 |
RMSD bond angle | 0.852 |
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 | 1.810 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.180 | 2.858 |
Number of reflections | 66439 | 1669 |
<I/σ(I)> | 4.7 | |
Completeness [%] | 92.5 | |
Redundancy | 9.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG3350, MgCl2, TRIS-HCl |