4K82

Crystal structure of lv-ranaspumin (Lv-RSN-1) from the foam nest of Leptodactylus vastus, monoclinic crystal form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06SA
Synchrotron site	SLS
Beamline	X06SA
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-04
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9999
Spacegroup name	P 1 21 1
Unit cell lengths	51.874, 25.848, 66.076
Unit cell angles	90.00, 103.98, 90.00

Refinement procedure

Resolution	25.629 - 1.600
R-factor	0.1896
Rwork	0.187
R-free	0.23730
Structure solution method	AB INITIO PHASING
RMSD bond length	0.006
RMSD bond angle	1.033
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	Arcimboldo
Refinement software	PHENIX (1.8_1069)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	64.119	45.259	1.690
High resolution limit [Å]	1.600	5.060	1.600
Rmerge		0.060	0.781
Total number of observations		3721	18307
Number of reflections	22985
<I/σ(I)>	9.8	9.1	1
Completeness [%]	99.9	96.3	100
Redundancy	5.5	4.9	5.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapour diffusion, sitting drop	7.3	293	0.2 M Potassium formate, 20% (w/v) PEG 3350, pH 7.3, vapour diffusion, sitting drop, temperature 293K