5H2Z

Crystal structure of Human Dihydroorotate Dehydrogenase (DHODH) with 7GF

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-05
Detector	RAYONIX MX-225
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	90.875, 90.875, 123.170
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	36.400 - 1.580
R-factor	0.17113
Rwork	0.170
R-free	0.18567
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4jtu
RMSD bond length	0.031
RMSD bond angle	2.857
Data scaling software	HKL-3000
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.090	1.780
High resolution limit [Å]	1.580	1.580
Number of reflections	76164
<I/σ(I)>	4
Completeness [%]	99.9	99.4
Redundancy	16.3
CC(1/2)		0.997

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M acetate, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO, 1.6-1.8 M ammonium sulfate