8GI7
C143A variant 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 | 2020-07-26 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.97872 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 125.001, 254.919, 192.809 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.390 - 3.300 |
R-factor | 0.1734 |
Rwork | 0.172 |
R-free | 0.20040 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.492 |
Data reduction software | DIALS |
Data scaling software | DIALS |
Phasing software | PHENIX (1.18.2) |
Refinement software | PHENIX (1.18.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.390 | 3.418 |
High resolution limit [Å] | 3.300 | 3.300 |
Rmerge | 0.137 | 0.432 |
Rmeas | 0.148 | 0.463 |
Rpim | 0.054 | 0.168 |
Number of reflections | 46623 | 4587 |
<I/σ(I)> | 8.42 | 0.92 |
Completeness [%] | 99.9 | 100 |
Redundancy | 7.5 | 7.7 |
CC(1/2) | 0.994 | 0.923 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.2 M Sodium tartrate dibasic dihydrate, 20% w/v Polyethylene glycol 3,350 |