4ESW

Crystal structure of C. albicans Thi5 H66G mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	CCD
Collection date	2012-02-11
Detector	ADSC QUANTUM 315
Wavelength(s)	0.9792
Spacegroup name	P 21 21 21
Unit cell lengths	55.386, 99.474, 126.389
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	39.084 - 1.600
R-factor	0.1637
Rwork	0.162
R-free	0.19060
Structure solution method	SAD
RMSD bond length	0.006
RMSD bond angle	1.055
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MLPHARE
Refinement software	PHENIX (1.7.3_928)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.630
High resolution limit [Å]	1.600	4.340	1.600
Rmerge	0.060	0.023	0.481
Number of reflections	92106
<I/σ(I)>	8.9
Completeness [%]	99.1	98.2	99.2
Redundancy	4.3	4.2	4.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.3	295	15% PEG 4K, 100 mM citrate, pH 5.3, vapor diffusion, hanging drop, temperature 295K
1	VAPOR DIFFUSION, HANGING DROP	5.3	295	15% PEG 4K, 100 mM citrate, pH 5.3, vapor diffusion, hanging drop, temperature 295K