6LP7

Crystal structure of human DHODH in complex with inhibitor 0944

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	2018-06-06
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979
Spacegroup name	P 32 2 1
Unit cell lengths	90.708, 90.708, 123.049
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	41.016 - 1.802
R-factor	0.1535
Rwork	0.153
R-free	0.17050
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6j3b
RMSD bond length	0.007
RMSD bond angle	1.080
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	1.840
High resolution limit [Å]	1.800	1.800
Rpim		0.300
Number of reflections	54587	3593
<I/σ(I)>	20.6
Completeness [%]	100.0
Redundancy	19.8
CC(1/2)	1.000	0.813

Crystallization Conditions

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