8JAT

Crystal structure of the 3-ketodihydrosphingosine reductase TSC10 from Cryptococcus neoformans

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL02U1
Synchrotron site	SSRF
Beamline	BL02U1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-13
Detector	DECTRIS EIGER2 S 9M
Wavelength(s)	0.97918
Spacegroup name	P 61 2 2
Unit cell lengths	111.311, 111.311, 80.399
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.800 - 3.200
R-factor	0.21328
Rwork	0.210
R-free	0.28227
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.586
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	MrBUMP
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	3.420
High resolution limit [Å]	3.200	3.200
Rmerge	0.501	2.870
Rmeas	0.514	2.945
Rpim	0.115	0.655
Total number of observations		17959
Number of reflections	5219	913
<I/σ(I)>	6.7	1.7
Completeness [%]	100.0
Redundancy	19.3	19.7
CC(1/2)	0.987	0.711

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		289	0.2M Potassium sodium tartrate tetrahydrate, 20% w/v Polyethylene glycol 3350