1DLL

The HC fragement of tetanus toxin complexed with lactose

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX9.6
Synchrotron site	SRS
Beamline	PX9.6
Temperature [K]	96
Detector technology	IMAGE PLATE
Collection date	1998-03-06
Detector	MARRESEARCH
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	30.000 - 1.800
R-factor	0.201 *
Rwork	0.201
R-free	0.26700
RMSD bond length	0.008 *
RMSD bond angle	0.026 *
Data reduction software	X-GEN
Data scaling software	SCALEPACK
Phasing software	CCP4
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.870
High resolution limit [Å]	1.800	1.800
Rmerge	0.094	0.690 *
Total number of observations	226864 *
Number of reflections	54336
<I/σ(I)>	10.6
Completeness [%]	99.4	58.2
Redundancy	4.2	0.8

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))