6DKO
Crystal structure of Mycobacterium tuberculosis malate synthase in complex with 2,6-F-phenyldiketoacid
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 | 2015-06-25 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 79.016, 79.016, 225.961 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 37.294 - 1.556 |
| R-factor | 0.1942 |
| Rwork | 0.193 |
| R-free | 0.22280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1n8i |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.847 |
| 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 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.116 | |
| Number of reflections | 100848 | 3913 |
| <I/σ(I)> | 7 | |
| Completeness [%] | 97.6 | 76.5 |
| Redundancy | 10.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | PEG 3350, TRIS-HCl, MgCl2 |
