3S5M

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 ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-07-14
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9724
Spacegroup name	P 21 21 21
Unit cell lengths	94.320, 106.700, 128.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.200 - 1.550
R-factor	0.1796
Rwork	0.179
R-free	0.21430
Structure solution method	MIR
Starting model (for MR)	2fge
RMSD bond length	0.014
RMSD bond angle	1.616
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.200	1.590
High resolution limit [Å]	1.510	1.510
Rmerge	0.086	0.490
Number of reflections	866049
<I/σ(I)>	8.6	1.9
Completeness [%]	96.5	83.4
Redundancy	4.4	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.2	298	11% PEG6000, 10% PEG400, 0.1M ADA, 20 mM Mg acetate, 20 mM Zn acetate, pH 6.2, VAPOR DIFFUSION, SITTING DROP, temperature 298K