4K83

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SLS BEAMLINE X06DA
Synchrotron site	SLS
Beamline	X06DA
Temperature [K]	100
Detector technology	CCD
Collection date	2012-08-05
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	0.9497
Spacegroup name	P 21 21 21
Unit cell lengths	36.662, 52.900, 102.717
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.030 - 1.750
R-factor	0.2026
Rwork	0.200
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4k82
RMSD bond length	0.007
RMSD bond angle	1.109
Data reduction software	XDS
Data scaling software	SCALA (3.3.9)
Phasing software	PHASER
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	51.359	47.030	1.840
High resolution limit [Å]	1.750	5.530	1.750
Rmerge		0.027	0.500
Number of reflections	20733
<I/σ(I)>	43.6	14	1.6
Completeness [%]	99.5	99.9	98.7
Redundancy	25.4	21.2	26.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	vapour diffusion, hanging drop	8	293	0.25 M sodium acetate, 28% PEG 3350, pH 8.0, vapour diffusion, hanging drop, temperature 293K