5NQG

Crystal structure of Plasmodium vivax AMA1 in complex with a 39 aa PvRON2 peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SOLEIL BEAMLINE PROXIMA 1
Synchrotron site	SOLEIL
Beamline	PROXIMA 1
Temperature [K]	110
Detector technology	PIXEL
Collection date	2016-10-09
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	164.460, 54.000, 62.130
Unit cell angles	90.00, 105.71, 90.00

Refinement procedure

Resolution	39.580 - 2.150
R-factor	0.1768
Rwork	0.174
R-free	0.22620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1w8k
RMSD bond length	0.010
RMSD bond angle	1.090
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.500	2.270
High resolution limit [Å]	2.150	2.150
Rmerge	0.087	0.750
Rpim	0.052	0.452
Number of reflections	28667	4162
<I/σ(I)>	9.6	1.9
Completeness [%]	99.6	99.8
Redundancy	3.7	3.7
CC(1/2)	0.997	0.698

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	290	PEG 3350, sodium citrate, isopropanol