8GW0

Crystal structure of the human dihydroorotase domain in complex with malic acid

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSRRC BEAMLINE TPS 07A
Synchrotron site	NSRRC
Beamline	TPS 07A
Temperature [K]	298
Detector technology	PIXEL
Collection date	2022-08-19
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1
Spacegroup name	C 2 2 21
Unit cell lengths	82.050, 158.251, 61.185
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	28.530 - 1.640
R-factor	0.1705
Rwork	0.170
R-free	0.19050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5ynz
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.740
High resolution limit [Å]	1.640	1.640
Number of reflections	48819	51300
<I/σ(I)>	11.51	2.12
Completeness [%]	98.8
Redundancy	7	7
CC(1/2)	0.998	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	0.1 M DL-Malic acid, pH 6.0, 1.6M potassium sodium tartrate tetrahydrate