3LIM

Crystal structure of the pore forming toxin frac from sea anemone actinia fragacea

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-4
Synchrotron site	ESRF
Beamline	ID14-4
Temperature [K]	100
Detector technology	CCD
Collection date	2008-10-06
Detector	ADSC QUANTUM 315
Spacegroup name	P 63 2 2
Unit cell lengths	117.899, 117.899, 343.228
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	49.910 - 1.800
R-factor	0.191
Rwork	0.189
R-free	0.22400
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.928
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX ((PHENIX.REFINE))

Data quality characteristics

	Overall
Low resolution limit [Å]	76.250
High resolution limit [Å]	1.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.8		reservoir, 10 mM Tris pH 7.8 4 M sodium formate. Drop has one to one of 4-6 mg/ml protein and reservoir solution, VAPOR DIFFUSION