7ZZI

Plasmodium falciparum hexokinase complexed with glucose and citrate

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	2021-05-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	125.240, 125.240, 120.930
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.480 - 2.800
R-factor	0.206
Rwork	0.199
R-free	0.26770
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6vyg
RMSD bond length	0.010
RMSD bond angle	1.170
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]	49.480	2.896
High resolution limit [Å]	2.796	2.796
Rmerge	0.120	3.411
Number of reflections	27459	2644
<I/σ(I)>	13.1
Completeness [%]	99.7
Redundancy	10.1
CC(1/2)	0.999	0.305

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	20% PEG 3350, 200 mM sodium citrate, 0.1 mM sodium citrate buffer (pH 3.4-4.0), 10 mM glucose, 10 mM ATP, 5 mM DTT