8SW9

Plasmodium falciparum M17 (A460S) mutant

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	CCD
Collection date	2018-11-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	174.335, 176.725, 225.210
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.570 - 2.600
R-factor	0.237
Rwork	0.235
R-free	0.28080
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.575
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]	49.570	2.640
High resolution limit [Å]	2.600	2.600
Rmerge	0.373	2.261
Rmeas	0.403	2.442
Rpim	0.152	0.918
Total number of observations	1485932	72954
Number of reflections	213083	10487
<I/σ(I)>	3.8	1.1
Completeness [%]	100.0
Redundancy	7	7
CC(1/2)	0.983	0.575

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	40% (v/v) PEG 400, 0.1 M Tris pH 8.5, 0.2 M Li2SO4