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