3TQ0

Crystal structure of Leishmania major dihydroorotate dehydrogenase in complex with fumarate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-24
Detector	MAR CCD 165 mm
Spacegroup name	P 61
Unit cell lengths	140.833, 140.833, 68.348
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	29.810 - 1.900
R-factor	0.16549
Rwork	0.165
R-free	0.18193
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gye
RMSD bond length	0.009
RMSD bond angle	1.347
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	MOLREP
Refinement software	REFMAC (5.5.0110)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.812
High resolution limit [Å]	1.900	1.900
Number of reflections	60966
<I/σ(I)>	8.12
Redundancy	10.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	295	0.1 M sodium citrate tribasic dihydrate, pH 5.6, 1.3 M lithium sulfate, 0.3 M ammonium sulfate, VAPOR DIFFUSION, SITTING DROP, temperature 295K