1XTG

Crystal structure of NEUROTOXIN BONT/A complexed with Synaptosomal-associated protein 25

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2004-03-11
Detector	ADSC QUANTUM 315
Spacegroup name	P 43 21 2
Unit cell lengths	86.000, 86.000, 165.400
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.920 - 2.100
R-factor	0.218
Rwork	0.218
R-free	0.24700
Structure solution method	SAD, Molecular replacement
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	CNS
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	76.330	2.150
High resolution limit [Å]	2.100	2.100
Number of reflections	68422
Completeness [%]	98.9	98.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	10% PEG 8000, 200 mM magnesium acetate, 100 mM sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	10% PEG 8000, 200 mM magnesium acetate, 100 mM sodium cacodylate, pH 6.5, VAPOR DIFFUSION, HANGING DROP, temperature 4K