6LP8

Crystal structure of human DHODH in complex with inhibitor 1243

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	2018-04-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	90.558, 90.558, 122.427
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.255 - 1.790
R-factor	0.1572
Rwork	0.157
R-free	0.17430
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j3b
RMSD bond length	0.007
RMSD bond angle	1.083
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.830
High resolution limit [Å]	1.790	1.790
Rpim	0.033
Number of reflections	55261	3640
<I/σ(I)>	21.5
Completeness [%]	99.9
Redundancy	10.1
CC(1/2)	0.989	0.942

Crystallization Conditions

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