4JGD

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with DH03A016

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U
Synchrotron site	SSRF
Beamline	BL17U
Temperature [K]	100
Detector technology	CCD
Collection date	2012-11-09
Detector	RAYONIX MX-225
Wavelength(s)	1.00000
Spacegroup name	P 32 2 1
Unit cell lengths	90.760, 90.760, 123.490
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.560 - 2.050
R-factor	0.16014
Rwork	0.159
R-free	0.17455
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3g
RMSD bond length	0.009
RMSD bond angle	1.741
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.560	2.050
High resolution limit [Å]	2.050	2.050
Number of reflections	37396
Completeness [%]	99.7	99.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	4.8	298	0.1M acetate, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 2.4-2.6M ammonium sulfate., pH 4.8, VAPOR DIFFUSION, SITTING DROP, temperature 298K