6DEK

Crystal structure of Candida albicans acetohydroxyacid synthase catalytic subunit

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-07-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.95370
Spacegroup name	P 62 2 2
Unit cell lengths	176.039, 176.039, 177.626
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.128 - 2.971
R-factor	0.1553
Rwork	0.153
R-free	0.18580
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1t9b
RMSD bond length	0.003
RMSD bond angle	0.721
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.130	3.120
High resolution limit [Å]	2.970	2.970
Rmerge	0.143	0.792
Rmeas	0.160
Rpim	0.069	0.385
Number of reflections	33165	4342
<I/σ(I)>	9.6
Completeness [%]	97.8	97.8
Redundancy	6.1	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		290	1 mM FAD, 1 mM ThDP, 5 mM MgCl2, 5 mM DTT, 3 mM sodium pyruvate, 1 M Na/K tartrate, 0.1 M CHES, and 0.2 M sodium sulfate