8GMK
Pyruvate bound structure of Citrate Synthase (CitA) in Mycobacterium Tuberculosis
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-07-02 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | P 31 2 1 |
Unit cell lengths | 99.524, 99.524, 141.345 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.340 - 1.810 |
R-factor | 0.212 |
Rwork | 0.210 |
R-free | 0.25980 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 0.940 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHENIX |
Refinement software | PHENIX (1.19.2_4158:000) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.340 | 1.875 |
High resolution limit [Å] | 1.810 | 1.810 |
Rmerge | 0.147 | 2.453 |
Rmeas | 0.156 | 2.603 |
Rpim | 0.050 | 0.863 |
Number of reflections | 74189 | 7262 |
<I/σ(I)> | 13.12 | |
Completeness [%] | 99.9 | 99.21 |
Redundancy | 9.7 | 8.8 |
CC(1/2) | 0.996 | 0.415 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1 M Tris pH 8.5, 0.5 M sodium chloride and 19 % w/v polyethylene glycol 3350 in the presence of 5.6 micromolar detergent, CYMAL-6 |