4Z0D

Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038Trp] 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	2014-11-07
Detector	RIGAKU RAXIS IV
Wavelength(s)	0.9464
Spacegroup name	P 21 21 21
Unit cell lengths	37.952, 72.011, 115.589
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	36.058 - 2.100
R-factor	0.2044
Rwork	0.203
R-free	0.24160
RMSD bond length	0.002
RMSD bond angle	0.599
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.9_1692)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	38.530	38.530	2.160
High resolution limit [Å]	2.100	8.910	2.100
Rmerge	0.313	0.077	1.504
Rpim	0.128	0.034	0.617
Total number of observations	133011	1762	10231
Number of reflections	19242
<I/σ(I)>	5.4	12.7	1.6
Completeness [%]	100.0	99.4	100
Redundancy	6.9	5.6	6.8
CC(1/2)	0.981	0.995	0.686

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