3S5I

Crystal structures of falcilysin, a M16 metalloprotease from the malaria parasite Plasmodium falciparum

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-2
Synchrotron site	ESRF
Beamline	ID23-2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-05-08
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.8726
Spacegroup name	P 21 21 21
Unit cell lengths	94.350, 107.120, 128.060
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.395 - 1.743
R-factor	0.1565
Rwork	0.156
R-free	0.19730
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2fge
RMSD bond length	0.014
RMSD bond angle	1.405
Data reduction software	iMOSFLM
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6_289))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	35.300	1.840
High resolution limit [Å]	1.740	1.740
Rmerge	0.135	0.620
Number of reflections	284102
<I/σ(I)>	15	4.8
Completeness [%]	99.9	99.7
Redundancy	15.1	14.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2		11% PEG6000, 10%PEG400, 0.1M ADA, 20mM Mg acetate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 100K