4JTT

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 066

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	90.706, 90.706, 123.686
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.507 - 2.100
R-factor	0.1602
Rwork	0.159
R-free	0.19180
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.160
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]	30.507	30.507
High resolution limit [Å]	2.100	2.100
Number of reflections	34748
Completeness [%]	99.5	99.53

Crystallization Conditions

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