1UUM

Rat dihydroorotate dehydrogenase (DHOD)in complex with atovaquone

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	EMBL/DESY, HAMBURG BEAMLINE BW7A
Synchrotron site	EMBL/DESY, HAMBURG
Beamline	BW7A
Temperature [K]	100
Detector technology	CCD
Collection date	2002-08-15
Detector	MARRESEARCH
Spacegroup name	P 3
Unit cell lengths	133.150, 133.150, 50.130
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.216
Rwork	0.216
R-free	0.24200
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]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.055	0.306
Number of reflections	44018
Completeness [%]	99.9	99.7
Redundancy	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5		VAPOUR DIFFUSION HANGING DROP WITH MOTHER LIQUOR, 5% PEG400, 1.9 M AMMONIUM SULPHATE, 0.1 M TRIS-HCL PH 8.6, PROTEIN SOLUTION: 15 MG/ML PROTEIN, 2 MM OROTATE, 0.1 % BETA-OCTYLGLUCOSIDE, 0.1 MM ATOVAQUONE