4JTS

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 072

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	2012-11-26
Detector	RAYONIX MX-225
Wavelength(s)	0.97852
Spacegroup name	P 32 2 1
Unit cell lengths	90.710, 90.710, 123.450
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	33.138 - 2.206
R-factor	0.1573
Rwork	0.156
R-free	0.18740
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.230
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	MOLREP
Refinement software	PHENIX ((phenix.refine: 1.8.1_1168))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	33.138	2.220
High resolution limit [Å]	2.206	2.206
Number of reflections	29992
Completeness [%]	99.4	99.43

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M acetate pH 4.8, 40mM C11DAO, 20.8mM N,N-dimethyldecylamine-N-oxide (DDAO), 2mM DHO 1.6-1.8 M ammonium sulfate, 2mM 072, VAPOR DIFFUSION, HANGING DROP, temperature 293K