6OC0

Crystal structure of human DHODH with OSU-03012

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-10-09
Detector	DECTRIS EIGER X 9M
Wavelength(s)	0.999873
Spacegroup name	P 32 2 1
Unit cell lengths	91.006, 91.006, 123.069
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.550 - 1.400
R-factor	0.1524
Rwork	0.151
R-free	0.18409
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4oqv
RMSD bond length	0.009
RMSD bond angle	1.711
Data reduction software	XDS (Jan 26, 2018)
Data scaling software	XDS
Phasing software	MOLREP
Refinement software	REFMAC (5.8.0238)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	1.480
High resolution limit [Å]	1.400	1.400
Rmeas	0.070	0.545
Number of reflections	114363	17418
<I/σ(I)>	19.21	2.76
Completeness [%]	99.0	94.2
Redundancy	9.53	6.52
CC(1/2)	0.999	0.878

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.5	293	Ammonium sulfate, glycerol, DHO, DDAO, OSU-03012