8EWZ

Plasmodium falciparum M1 in complex with inhibitor 9c

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	2016-07-13
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	75.840, 108.780, 117.480
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.440 - 1.750
R-factor	0.1585
Rwork	0.157
R-free	0.18670
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3ebg
RMSD bond length	0.006
RMSD bond angle	0.806
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]	46.440	1.813
High resolution limit [Å]	1.750	1.750
Rmerge	0.040
Number of reflections	98459	9736
<I/σ(I)>	9.79
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.997	0.884

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