8K1I

Crystal structure of arabinose dehydrogenase from Candida auris

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-11-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.978
Spacegroup name	P 21 21 21
Unit cell lengths	71.634, 91.119, 227.712
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.640 - 1.950
R-factor	0.2578
Rwork	0.255
R-free	0.31370
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.070
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.300	2.000
High resolution limit [Å]	1.950	1.950
Rmerge	0.121
Rpim		0.035
Number of reflections	109522
<I/σ(I)>	10.9
Completeness [%]	100.0
Redundancy	7.7
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		279	PEG 3350, Tris-HCL, magnesium sulfate