1FV2

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	SRS BEAMLINE PX7.2
Synchrotron site	SRS
Beamline	PX7.2
Temperature [K]	100
Detector technology	IMAGE PLATE
Collection date	1999-03-31
Detector	MARRESEARCH
Spacegroup name	P 1 21 1
Unit cell lengths	45.849, 52.172, 117.353
Unit cell angles	90.00, 99.55, 90.00

Refinement procedure

Resolution	40.000 - 2.500
R-factor	0.22528
Rwork	0.224
R-free	0.27626
RMSD bond length	0.019
RMSD bond angle	0.050
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]	40.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.117	0.767
Total number of observations	57886 *
Number of reflections	19104
<I/σ(I)>	5.2
Completeness [%]	99.4	99.4
Redundancy	3	1.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	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