6N87

Plasmodium falciparum FVO apical membrane antigen 1 (AMA1) bound to MTSL spin-labelled cyclised RON2 peptide

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	2017-05-05
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.9537
Spacegroup name	I 1 2 1
Unit cell lengths	71.567, 37.755, 142.176
Unit cell angles	90.00, 94.13, 90.00

Refinement procedure

Resolution	40.787 - 1.588
R-factor	0.1617
Rwork	0.160
R-free	0.18820
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r1a
RMSD bond length	0.016
RMSD bond angle	1.387
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.790	1.644
High resolution limit [Å]	1.588	1.588
Rpim	0.056	0.569
Number of reflections	51482	4902
<I/σ(I)>	8.62
Completeness [%]	99.6
Redundancy	3.7
CC(1/2)	0.997	0.493

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		277	15-20% PEG400, 0.1 M Tris pH 8.4, 20% isopropanol, 0.1 M sodium acetate