4Z09

Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Thr2040Ala] 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	IMAGE PLATE
Collection date	2014-12-02
Detector	RIGAKU RAXIS IV
Wavelength(s)	0.9464
Spacegroup name	P 21 21 21
Unit cell lengths	38.075, 72.025, 115.390
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.157 - 2.000
R-factor	0.1974
Rwork	0.196
R-free	0.22990
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r1a
RMSD bond length	0.002
RMSD bond angle	0.575
Data reduction software	XDS
Data scaling software	Aimless (0.2.17)
Phasing software	PHASER
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.070	38.070	2.050
High resolution limit [Å]	2.000	8.940	2.000
Rmerge	0.221	0.123	0.852
Rpim	0.071	0.043	0.326
Total number of observations	227394	3119	11148
Number of reflections	21689
<I/σ(I)>	10.8	18.9	4
Completeness [%]	97.8	99.3	91.5
Redundancy	10.5	10.1	7.7
CC(1/2)	0.978	0.817	0.524

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.6	298	15-20% PEG400, 0.1 M Tris-HCl, pH 8.6, 0.1 M sodium acetate and 20% isopropanol