1DIW

THE HC FRAGMENT OF TETANUS TOXIN COMPLEXED WITH GALACTOSE

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	92
Detector technology	CCD
Collection date	1998-03-06
Detector	ADSC QUANTUM 4
Spacegroup name	P 21 21 21
Unit cell lengths	67.076, 70.882, 122.238
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	27.900 - 2.000
R-factor	0.216 *
Rwork	0.216
R-free	0.26700
RMSD bond length	0.010 *
RMSD bond angle	0.034 *
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000 *	2.070
High resolution limit [Å]	2.000	2.000
Rmerge	0.106	0.840 *
Total number of observations	145911 *
Number of reflections	37419
<I/σ(I)>	8.5
Completeness [%]	98.8 *	96.6
Redundancy	3.7	3.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	295	IMIDAZOLE, SODIUM CHLORIDE, AMMONIUM SULPHATE, PEG4000, 2-METHYL-2,4-PENTANE- DIOL, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 295K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	3 (mg/ml)
2	1	drop	imidazole	20 (mM)
3	1	drop		100 (mM)
4	1	reservoir	ammonium sulfate	200 (mM)
5	1	reservoir	PEG4000	40 (%(w/v))
6	1	reservoir	MPD	1 (%(v/v))