6LZL

Crystal structure of human dihydroorotate dehydrogenase (DHODH) with Piperine

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL19U1
Synchrotron site	SSRF
Beamline	BL19U1
Temperature [K]	293
Detector technology	CCD
Collection date	2016-03-08
Detector	RAYONIX MX-225
Wavelength(s)	0.987
Spacegroup name	P 32 2 1
Unit cell lengths	90.413, 90.413, 122.699
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	48.290 - 1.980
R-factor	0.1863
Rwork	0.185
R-free	0.20930
Structure solution method	AB INITIO PHASING
Data reduction software	CrysalisPro (1.0)
Data scaling software	HKL-3000 (2.0)
Phasing software	PHENIX (7.0)
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.290	1.980
High resolution limit [Å]	1.980	1.980
Rmerge	0.313	0.313
Number of reflections	38437
<I/σ(I)>	5.45
Completeness [%]	98.8
Redundancy	14.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.8	293	HEPES pH 7.7, NaCl, 20% Glycerol, EDTA, UDAO, DDAO