7Z4N

Plasmodium falciparum pyruvate kinase complexed with pyruvate

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X10SA
Synchrotron site	SLS
Beamline	X10SA
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-25
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1
Spacegroup name	I 2 2 2
Unit cell lengths	79.890, 112.400, 131.970
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.200 - 1.800
R-factor	0.2073
Rwork	0.205
R-free	0.24470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292121472
RMSD bond length	0.014
RMSD bond angle	1.353
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.200	1.864
High resolution limit [Å]	1.800	1.800
Rmerge	0.060
Number of reflections	53978	16185
<I/σ(I)>	10.6
Completeness [%]	97.6
Redundancy	3.3
CC(1/2)	0.999	0.511

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	100 mM MES, pH 6.5, 50 mM KCl, 10 mM MgCl2 and 14-24% PEG 600