6C8P
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2-F-phenyldiketoacid
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 | PIXEL |
Collection date | 2012-02-23 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 0.98 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.772, 78.772, 224.698 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.696 - 1.635 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.21710 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1n8i |
RMSD bond length | 0.007 |
RMSD bond angle | 0.856 |
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] | 74.340 | 1.635 |
High resolution limit [Å] | 1.635 | 1.620 |
Rmerge | 0.170 | 1.236 |
Number of reflections | 88365 | |
<I/σ(I)> | 6.2 | |
Completeness [%] | 84.9 | |
Redundancy | 8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | TRIS-HCl, MgCl2, PEG3350 |