6Y3A

Structure of Plasmodium vivax phosphoglycerate kinase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-10-20
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.92818
Spacegroup name	P 21 21 21
Unit cell lengths	42.340, 84.120, 125.520
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.879 - 1.490
R-factor	0.1648
Rwork	0.163
R-free	0.19530
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1ltk
Data reduction software	xia2
Data scaling software	Aimless (0.5.15)
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	69.880	69.880	1.530
High resolution limit [Å]	1.490	6.660	1.490
Rmerge	0.062	0.034	1.141
Rmeas	0.068	0.038	1.311
Rpim	0.027	0.015	0.633
Total number of observations	428316
Number of reflections	74103	957	5398
<I/σ(I)>	14
Completeness [%]	99.8	99.2	99.5
Redundancy	5.8	5.5	4.1
CC(1/2)	0.999	0.998	0.508

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.4	291	20% PEG-MME 2K, 0.15 M KBr