4EME

X-ray crystal structure and specificity of the Plasmodium falciparum malaria aminopeptidase

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	2011-08-10
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 3
Unit cell lengths	200.384, 200.384, 200.384
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	55.580 - 2.600
R-factor	0.1613
Rwork	0.159
R-free	0.19590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.140
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.400	2.740
High resolution limit [Å]	2.600	2.600
Rmerge	0.248	1.439
Number of reflections	82063
Completeness [%]	100.0	99.9
Redundancy	9.6	6.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.2		67% MPD, pH 7.2, VAPOR DIFFUSION, HANGING DROP, temperature 100K