4Z0E

Crystal structure of FVO strain Plasmodium falciparum AMA1 in complex with the RON2hp [Phe2038TRN] 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)	0.9537
Spacegroup name	P 21 21 21
Unit cell lengths	37.970, 72.020, 115.290
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	33.588 - 1.900
R-factor	0.1907
Rwork	0.189
R-free	0.22870
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4r1a
RMSD bond length	0.004
RMSD bond angle	0.801
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]	36.010	36.010	1.940
High resolution limit [Å]	1.900	9.110	1.900
Rmerge	0.178	0.052	0.655
Rpim	0.072	0.023	0.284
Total number of observations	169637	1521	6617
Number of reflections	24645
<I/σ(I)>	8	17.3	2.6
Completeness [%]	96.2	98	73.1
Redundancy	6.9	5.4	5.8
CC(1/2)	0.994	0.994	0.493

Crystallization Conditions

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