8G4B

Crystal structure of heterodimeric Crotoxin B from Crotalus durissus collilineatus

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	2009-04-03
Detector	MAR CCD 165 mm
Wavelength(s)	1.458
Spacegroup name	P 43 21 2
Unit cell lengths	84.950, 84.950, 65.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.991 - 1.890
R-factor	0.2116
Rwork	0.210
R-free	0.24020
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.459
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.13)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	5.640	2.010
High resolution limit [Å]	1.890	5.640	1.890
Rmerge	0.078	0.041	0.937
Rmeas	0.091	0.048	1.107
Number of reflections	36577	1369	5853
<I/σ(I)>	8.86
Completeness [%]	99.2
Redundancy	2
CC(1/2)	0.997	0.997	0.612

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	9	291	2.0 M ammonium sulfate, 0.1 M Tris HCl