8SVM

Plasmodium falciparum M17 aminopeptidase bound to MMV1557817

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	2016-02-23
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	174.204, 177.926, 229.762
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	49.000 - 2.300
R-factor	0.2068
Rwork	0.204
R-free	0.25210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.667
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.000	2.340
High resolution limit [Å]	2.300	2.300
Rmerge	0.331	2.129
Rmeas	0.402	2.614
Rpim	0.223	1.483
Total number of observations		43972
Number of reflections	306939	14962
<I/σ(I)>	3.9	1.5
Completeness [%]	97.6
Redundancy	3	2.9
CC(1/2)	0.931	0.150

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