7TBD

Crystal structure of Plasmepsin X from Plasmodium vivax in complex with WM382

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	2020-10-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9537
Spacegroup name	I 2 2 2
Unit cell lengths	82.021, 88.440, 230.173
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.630 - 2.220
R-factor	0.1982
Rwork	0.196
R-free	0.24520
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7tbb
RMSD bond length	0.007
RMSD bond angle	0.932
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.630	2.290
High resolution limit [Å]	2.220	2.220
Rpim	0.047	0.473
Number of reflections	41807	3792
<I/σ(I)>	11.4	1.7
Completeness [%]	100.0	100
Redundancy	13.8
CC(1/2)	1.000	0.807

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	2 M ammonium sulfate, 0.1 M sodium HEPES pH 7.5, 2% (v/v) PEG 400 and 1 mM Anderson-Evans polyoxotungstate