7Z4Q

Plasmodium falciparum pyruvate kinase mutant - C49A

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	2019-05-10
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.0
Spacegroup name	I 2 2 2
Unit cell lengths	89.660, 109.810, 133.350
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	41.200 - 2.100
R-factor	0.2534
Rwork	0.251
R-free	0.27840
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	D_1292121472
RMSD bond length	0.003
RMSD bond angle	0.581
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]	41.200	2.175
High resolution limit [Å]	2.100	2.100
Rmerge	0.046	1.185
Number of reflections	153591	15062
<I/σ(I)>	12.67
Completeness [%]	98.5	97.96
Redundancy	4	4
CC(1/2)	0.999	0.589

Crystallization Conditions

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