7TOC
Crystal Structure of the Mitochondrial Ketol-acid Reductoisomerase IlvC from Candida auris
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 19-ID |
Synchrotron site | APS |
Beamline | 19-ID |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-10-22 |
Detector | DECTRIS PILATUS3 X 6M |
Wavelength(s) | 0.97913 |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 145.555, 145.555, 244.349 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 41.120 - 2.430 |
R-factor | 0.181 |
Rwork | 0.180 |
R-free | 0.20860 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | alpha fold 2 model |
RMSD bond length | 0.007 |
RMSD bond angle | 0.874 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | HKL-3000 |
Refinement software | PHENIX (1.19_4092) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.470 |
High resolution limit [Å] | 2.430 | 2.430 |
Rmerge | 0.154 | 2.238 |
Rmeas | 0.159 | 2.321 |
Rpim | 0.037 | 0.611 |
Number of reflections | 58168 | 2853 |
<I/σ(I)> | 23.4 | 1.09 |
Completeness [%] | 100.0 | 100 |
Redundancy | 18.1 | 14.1 |
CC(1/2) | 0.409 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 289 | 0.1M Na Cacodylate pH6, 2M Na Malonate pH7.4, 2mM NADPH, 5mM MgCl2 |