1KTK

Complex of Streptococcal pyrogenic enterotoxin C (SpeC) with a human T cell receptor beta chain (Vbeta2.1)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE A1
Synchrotron site	CHESS
Beamline	A1
Temperature [K]	100
Detector technology	CCD
Collection date	2000-09-08
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9780
Spacegroup name	P 1 21 1
Unit cell lengths	57.378, 146.764, 135.690
Unit cell angles	90.00, 98.61, 90.00

Refinement procedure

Resolution	6.000 - 3.000
R-factor	0.326
Rwork	0.326
R-free	0.33500 *
RMSD bond length	0.011
RMSD bond angle	1.990 *
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	100.000	3.160
High resolution limit [Å]	3.000	3.000
Rmerge	0.050 *	0.207 *
Total number of observations	158446 *
Number of reflections	43729 *
Completeness [%]	97.8 *	96.5 *

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8	298	15% PEG 8000, 0.2 M MgCl2, pH 8.0, VAPOR DIFFUSION, HANGING DROP at 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	8 (mg/ml)
2	1	reservoir	PEG8000	15 (%)
3	1	reservoir		0.2 (M)
4	1	reservoir	Tris-HCl	0.1 (M)	pH8.0