2J5L

Structure of a Plasmodium falciparum 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	171.900, 171.900, 44.200
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	20.000 - 2.900
R-factor	0.215
Rwork	0.212
R-free	0.27800
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2j4w
RMSD bond length	0.024
RMSD bond angle	2.386
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	3.000
High resolution limit [Å]	2.800	2.800
Rmerge	0.250	1.160
Number of reflections	18102
<I/σ(I)>	12.1	2.7
Completeness [%]	96.0	80.4
Redundancy	21.2	16.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		4.6	290	CRYSTALLISATION TRIALS WERE CARRIED OUT WITH PFAMA1 ECTOPLASMIC CONSTRUCTION CORRESPONDING TO DOMAINS II-III. THE FAB FRAGMENT WAS INCUBATED IN SMALL STOICHIOMETRIC EXCESS WITH THE RECOMBINANT PROTEIN (1.2:1) BEFORE ADDING CRYSTALLISATION BUFFERS. CRYSTALLISATION DROPS WERE PREPARED BY MIXING 0.8 MICROL OF PROTEIN WITH 0.8 MICROL OF RESERVOIR BUFFER COMPRISING 12% PEG 6000 AND 0.1 M SODIUM ACETATE AT PH 4.6. THE FINAL PROTEIN CONCENTRATION WAS 3.2 MG/ML. CRYSTALS APPEARED AFTER 5 DAYS AT 17 DEGREE C.