7CA0

Crystal structure of dihydroorotase in complex with 5-fluoroorotic acid from Saccharomyces cerevisiae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SPRING-8 BEAMLINE BL44XU
Synchrotron site	SPring-8
Beamline	BL44XU
Temperature [K]	100
Detector technology	CCD
Collection date	2020-02-12
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.9
Spacegroup name	P 1 21 1
Unit cell lengths	85.471, 88.587, 103.572
Unit cell angles	90.00, 95.28, 90.00

Refinement procedure

Resolution	44.570 - 2.500
R-factor	0.1974
Rwork	0.195
R-free	0.24590
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6l0a
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX (1.18.2_3874)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.570	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	52440	5332
<I/σ(I)>	8.2
Completeness [%]	98.0
Redundancy	2
CC(1/2)	0.997	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	298	100 mM imidazole malate pH 7, 16% PEG 4000