4JS3

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with 057

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)	0.97852
Spacegroup name	P 32 2 1
Unit cell lengths	90.820, 90.820, 123.300
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.728 - 2.000
R-factor	0.1516
Rwork	0.150
R-free	0.17870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1d3g
RMSD bond length	0.007
RMSD bond angle	1.358
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]	29.728	2.050
High resolution limit [Å]	2.000	2.000
Number of reflections	40137
Completeness [%]	99.6	99.74

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	0.1M acetate pH 4.8, 40mM UDAO, 20.8mM N,N-dimethyldecylamine-N-oxide(DDAO), 2mM DHO, 2.4-2.6M ammonium sulfate, VAPOR DIFFUSION, HANGING DROP, temperature 293K