6VTN

Crystal structure of Plasmodium falciparum dihydroorotate dehydrogenase bound with Inhibitor DSM557

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	PIXEL
Collection date	2016-02-19
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97926
Spacegroup name	P 64
Unit cell lengths	84.751, 84.751, 137.959
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	42.380 - 2.250
R-factor	0.2044
Rwork	0.202
R-free	0.21870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3i65
RMSD bond length	0.004
RMSD bond angle	0.609
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.380	2.290
High resolution limit [Å]	2.250	2.250
Rpim	0.019	0.719
Number of reflections	26640	1344
<I/σ(I)>	37.89	1
Completeness [%]	100.0	100
Redundancy	11.3	10.2
CC(1/2)		0.541

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	293	0.17 M Ammonium Sulfate, 0.1 M Tri-Na citrate, 25% PEG4000, 16% Glycerol, 10 mM DTT