1UUO

Rat dihydroorotate dehydrogenase (DHOD)in complex with brequinar

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	MAX II BEAMLINE I711
Synchrotron site	MAX II
Beamline	I711
Temperature [K]	100
Detector technology	CCD
Collection date	2002-02-15
Detector	MARRESEARCH
Spacegroup name	C 2 2 21
Unit cell lengths	49.753, 95.801, 144.469
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.000 - 2.440
R-factor	0.21
Rwork	0.210
R-free	0.26300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.400
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	EPMR
Refinement software	CNS (1.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.440	2.440
Rmerge	0.095	0.414
Number of reflections	12989
Completeness [%]	100.0	99.9
Redundancy	11.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		VAPOUR DIFFUSION HANGING DROP WITH MOTHER LIQUOR: 65% MPD, 0.1M TRIS/HCL, PH=8.5 PROTEIN SOLUTION:15 MG/ML PROTEIN, 2 MM OROTATE, 15 MG/ML PROTEIN, 2 MM OROTATE, 0.1 % BETA-OCTYLGLUCOSIDE, 0.1 MM ATOVAQUONE, pH 8.50