6SU9

Crystal structure of Plasmodium falciparum PdxK with ligands AMP-PNP and PL

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P13 (MX1)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2014-07-08
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97
Spacegroup name	P 1 21 1
Unit cell lengths	52.703, 62.004, 93.712
Unit cell angles	90.00, 94.99, 90.00

Refinement procedure

Resolution	19.327 - 2.150
R-factor	0.2126
Rwork	0.209
R-free	0.27190
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1rfu
RMSD bond length	0.008
RMSD bond angle	0.952
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.330	2.227
High resolution limit [Å]	2.150	2.150
Rmerge	0.042	0.042
Number of reflections	32284	3159
<I/σ(I)>	2
Completeness [%]	97.9	97.17
Redundancy	2.55

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.8	293	0.1 M HEPES pH 7.75, 0.2 M CaCl2, 31%(v/v) PEG400, 5%(v/v) glycerol