2ISE

Botulinum Neurotoxin A Light Chain WT Crystal Form A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2006-01-08
Detector	ADSC QUANTUM 315
Wavelength(s)	1.17
Spacegroup name	P 1 21 1
Unit cell lengths	57.094, 189.407, 39.626
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.350 - 2.200
R-factor	0.242
Rwork	0.242
R-free	0.29900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1xtf
RMSD bond length	0.007
RMSD bond angle	1.100
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	CNS (1.1)

Data quality characteristics

	Overall
Low resolution limit [Å]	42.350
High resolution limit [Å]	2.090
Number of reflections	38888

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	16% PEG 3350, 10% Na/K Phosphate 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K