6QU7

Crystal structure of human DHODH in complex with BAY 2402234

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-12-09
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.918400
Spacegroup name	P 32 2 1
Unit cell lengths	90.659, 90.659, 122.501
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.290 - 1.520
R-factor	0.15203
Rwork	0.152
R-free	0.17324
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.446
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.610
High resolution limit [Å]	1.520	1.520
Rmeas	0.118
Number of reflections	89320
<I/σ(I)>	14.89
Completeness [%]	99.6
Redundancy	11
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	2.3 M NH4SO4, 0.1 M Na-acetate, 30% Glycerol