8W10

Plasmodium vivax PMX-MK7602 inhibitor complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-08
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	82.310, 88.302, 230.675
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.760 - 2.950
R-factor	0.1951
Rwork	0.192
R-free	0.25030
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tbb
RMSD bond length	0.006
RMSD bond angle	0.736
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.760	3.130
High resolution limit [Å]	2.950	2.950
Rpim	0.102	0.482
Number of reflections	18136	2861
<I/σ(I)>	8	2.2
Completeness [%]	99.9
Redundancy	8.4
CC(1/2)	0.990	0.577

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2M Ammonium sulfate 0.1M Sodium HEPES pH7.50 2% PEG 400 1mM TEW