3LMU

Crystal structure of DTD from Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	2007-07-29
Detector	MAR scanner 345 mm plate
Wavelength(s)	1.5418
Spacegroup name	P 43
Unit cell lengths	77.180, 77.180, 214.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.958 - 3.300
R-factor	0.189
Rwork	0.185
R-free	0.25600
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.154
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	SOLVE
Refinement software	PHENIX (1.5_2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.420
High resolution limit [Å]	3.300	3.300
Rmerge	0.162	0.516
Number of reflections	18914
<I/σ(I)>	6.8
Completeness [%]	100.0	100
Redundancy	14.9	14.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	25% PEG1500, VAPOR DIFFUSION, HANGING DROP, temperature 293K