7RIE

Plasmodium falciparum M17 in complex with inhibitor MIPS2571

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	2018-08-22
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	0.953727
Spacegroup name	P 21 21 21
Unit cell lengths	175.290, 175.858, 234.679
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.750 - 2.490
R-factor	0.1969
Rwork	0.195
R-free	0.22860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3kqz
RMSD bond length	0.003
RMSD bond angle	0.571
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]	48.800	2.540
High resolution limit [Å]	2.490	2.490
Number of reflections	250390	11256
<I/σ(I)>	6.9
Completeness [%]	99.5	91.1
Redundancy	6.9	6.5
CC(1/2)	0.996	0.683

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG400, 0.2M LiSO4, 0.1M Tris pH 7.5 to 8.8