2AOZ

Crystal structure of the myotoxin-II from Atropoides nummifer venom

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	LNLS BEAMLINE D03B-MX1
Synchrotron site	LNLS
Beamline	D03B-MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-05-15
Detector	MARRESEARCH
Wavelength(s)	1.427
Spacegroup name	P 43 21 2
Unit cell lengths	68.939, 68.939, 64.069
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.360 - 2.080
R-factor	0.22148
Rwork	0.219
R-free	0.27502
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	: 1MC2
RMSD bond length	0.014
RMSD bond angle	1.398
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	REFMAC (5.1.24)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.360	2.190
High resolution limit [Å]	2.080	2.080
Number of reflections	9272
Completeness [%]	99.1	94.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	293	ammonium sulfate, peg 3350, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K