4GV5

X-ray structure of crotamine, a cell-penetrating peptide from the Brazilian snake Crotalus durissus terrificus

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	CCD
Detector	RAYONIX MX225HE
Spacegroup name	I 21 21 21
Unit cell lengths	66.922, 74.330, 80.199
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	10.000 - 1.700
R-factor	0.1699
Rwork	0.167
R-free	0.22537
Structure solution method	SAD
RMSD bond length	0.034
RMSD bond angle	2.856
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AutoSol
Refinement software	REFMAC (5.6.0117)

Data quality characteristics

	Overall
Low resolution limit [Å]	10.000
High resolution limit [Å]	1.700
Number of reflections	20890
Completeness [%]	97.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.1	293	0.2 M sodium thiocyanate, 1.9 M ammonium sulphate, pH 6.1, VAPOR DIFFUSION, HANGING DROP, temperature 293.0K