4R1C

Crystal Structure of 3D7 strain Plasmodium falciparum AMA1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2014-03-06
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9537
Spacegroup name	C 1 2 1
Unit cell lengths	156.529, 54.500, 67.955
Unit cell angles	90.00, 91.42, 90.00

Refinement procedure

Resolution	40.863 - 2.000
R-factor	0.1961
Rwork	0.193
R-free	0.24730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1z40
RMSD bond length	0.008
RMSD bond angle	1.075
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASES
Refinement software	PHENIX ((phenix.refine: 1.8.4_1496))

Data quality characteristics

	Overall
Low resolution limit [Å]	41.200
High resolution limit [Å]	2.000
Number of reflections	38986
Completeness [%]	100.0

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	298	12-15 % (v/v) polyethylene glycol 3350, 0.02 M MES and 10 mM manganese chloride. Crystals were dehydrated overnight in reservoir solution with increased (35%) (v/v) polyethylene glycol 3350 before cryo-stabilisation in 38% (v/v) polyethylene glycol 3350, 0.088 M MES (pH 6.0) and 44 mM manganese chloride for 6-8 h prior to data collection. 5% (v/v) methanol was added to the stabilisation solution, VAPOR DIFFUSION, HANGING DROP, temperature 298K