6J3B

Crystal structure of human DHODH in complex with inhibitor 1289

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	2018-04-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	90.829, 90.829, 122.754
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.389 - 1.600
R-factor	0.1576
Rwork	0.157
R-free	0.17640
RMSD bond length	0.007
RMSD bond angle	1.087
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.630
High resolution limit [Å]	1.600	1.600
Rpim	0.056	0.248
Number of reflections	77757	3842
<I/σ(I)>	13.6
Completeness [%]	100.0
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	HEPES pH4.6, 2M AMMONIUM SULPHATE, 30% Glycerol