5DEL

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM59

Replaces:  4RYH

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2009-10-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.979
Spacegroup name	P 64
Unit cell lengths	85.046, 85.046, 137.704
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.955 - 2.200
R-factor	0.1958
Rwork	0.195
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i65
RMSD bond length	0.003
RMSD bond angle	0.763
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASES
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	39.020	2.240
High resolution limit [Å]	2.200	2.200
Rmerge		1.000
Number of reflections	24803
<I/σ(I)>	30.28	1.1
Completeness [%]	99.9	100
Redundancy	6.3	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.35	293	0.16 M Ammonium sulfate, 0.1 M NaAcetate, pH 5.35, 13.5% PEG4000, 24% Glycerol, 10 mM DTT