9EYL

dN53 deletion variant of monomeric Fav - actinoporin from Orbicella faveolata

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ELETTRA BEAMLINE 5.2R
Synchrotron site	ELETTRA
Beamline	5.2R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-05-31
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.0
Spacegroup name	P 32 2 1
Unit cell lengths	61.011, 61.011, 91.825
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	45.800 - 1.500
R-factor	0.1617
Rwork	0.160
R-free	0.18460
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.886
Data reduction software	XDS (0.76)
Data scaling software	XDS (0.76)
Phasing software	PHASER ((1.20.1_4487: ???))
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	1.554
High resolution limit [Å]	1.500	1.500
Rmerge	0.099	0.789
Rmeas	0.105	0.832
Rpim	0.032	0.260
Number of reflections	32274	3195
<I/σ(I)>	18.73	3.25
Completeness [%]	100.0	99.59
Redundancy	10.4	10.1
CC(1/2)	0.999	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293.15	1.8 M Li2SO4