8EYD

Plasmodium falciparum M1 in complex with inhibitor 15ah

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-11-19
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	75.367, 109.095, 118.104
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.190 - 1.830
R-factor	0.1572
Rwork	0.155
R-free	0.19250
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ebg
RMSD bond length	0.008
RMSD bond angle	0.903
Data reduction software	iMOSFLM
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.190	1.896
High resolution limit [Å]	1.830	1.831
Number of reflections	166286	16283
<I/σ(I)>	27.26
Completeness [%]	99.1
Redundancy	1.9
CC(1/2)	0.999	0.860

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	20-30% poly(ethylene glycol) (PEG)8000, 0.1 M Tris pH 7.5-8.5, 0.2 M MgCl2, 10% glycerol