1FV3

THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH AN ANALOGUE OF ITS GANGLIOSIDE RECEPTOR GT1B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID13
Synchrotron site	ESRF
Beamline	ID13
Temperature [K]	100
Detector technology	CCD
Collection date	1999-04-23
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	91.311, 53.068, 118.278
Unit cell angles	90.00, 89.78, 90.00

Refinement procedure

Resolution	30.000 - 2.300
R-factor	0.239
Rwork	0.237
R-free	0.30600
Data reduction software	MOSFLM
Data scaling software	SCALA
Phasing software	AMoRE
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.173	0.970
Total number of observations	166764 *
Number of reflections	49658
<I/σ(I)>	3.2
Completeness [%]	98.3	98.3
Redundancy	3.4	3.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	other *	8.5	293	20% Polyethylene glycol 8000, sodium-potassium phosphate, TRIS, imidazole, sodium chloride, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	2.8 (mg/ml)
2	1	reservoir	PEG4000	20 (%)
3	1	reservoir	imidazole-malate	0.2 (M)	pH7.0
4	1	reservoir	Tris	0.1 (M)	pH8.5