2J4W

Structure of a Plasmodium vivax apical membrane antigen 1-Fab F8.12.19 complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	P 63
Unit cell lengths	171.787, 171.787, 44.748
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.500
R-factor	0.19
Rwork	0.187
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	PDB ENTRIES 2IGF 1w8k
RMSD bond length	0.017
RMSD bond angle	1.893
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AMoRE
Refinement software	REFMAC (5.2.0003)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.140	0.930
Number of reflections	26533
<I/σ(I)>	14.8
Completeness [%]	98.1	88
Redundancy	10

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.4		PVAMA1 AND FAB-F8.12.19 WERE MIXED IN A 1:1 STOICHIOMETRIC RATIO AND LEFT TO INCUBATE FOR 4 HOURS AT ROOM TEMPERATURE TO FORM THE ANTIBODY-ANTIGEN COMPLEX BEFORE MIXING WITH CRYSTALLISATION SCREENING BUFFERS. CRYSTALS USED FOR DIFFRACTION MEASUREMENTS WERE OBTAINED AS FOLLOWS. THE CRYSTALLISATION BUFFER IN THE RESERVOIR COMPRISED 10% PEG 6000 AND 0.1 M SODIUM ACETATE BUFFERED TO PH 4.4. THE CRYSTALLISATION DROP WAS PREPARED BY ADDING 0.8 MICROLITRES OF THE CRYSTALLISATION BUFFER TO 0.8 MICROLITRES OF THE PVAMA1-FAB COMPLEX, GIVING A FINAL PROTEIN CONCENTRATION OF 3.9 MG/ML.