6UY4

Crystal structure of dihydroorotate dehydrogenase from Schistosoma mansoni

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 2
Synchrotron site	SOLEIL
Beamline	PROXIMA 2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-26
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.980
Spacegroup name	I 4 3 2
Unit cell lengths	187.981, 187.981, 187.981
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.995 - 2.796
R-factor	0.2174
Rwork	0.216
R-free	0.24640
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6UOY
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.000	2.950
High resolution limit [Å]	2.796	2.800
Number of reflections	14354	2047
<I/σ(I)>	15.2
Completeness [%]	99.8
Redundancy	39.8
CC(1/2)	0.997	0.404

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	0.1 MES pH 6.5; 1.4 M CITRIC ACID