1SBB

T-CELL RECEPTOR BETA CHAIN COMPLEXED WITH SUPERANTIGEN SEB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	CHESS BEAMLINE F1
Synchrotron site	CHESS
Beamline	F1
Temperature [K]	100
Detector technology	CCD
Collection date	1997-08
Detector	PRINCETON 2K
Spacegroup name	P 1 21 1
Unit cell lengths	71.200, 83.650, 82.980
Unit cell angles	90.00, 93.04, 90.00

Refinement procedure

Resolution	6.000 - 2.400
R-factor	0.228 *
Rwork	0.228
R-free	0.30900
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1SE4 AND 1BEC
RMSD bond length	0.006
RMSD bond angle	1.500
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	AMoRE
Refinement software	X-PLOR (3.1)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	2.500
High resolution limit [Å]	2.400	2.400
Rmerge	0.092	0.360
Total number of observations	325939 *
Number of reflections	34934
<I/σ(I)>	17	4
Completeness [%]	91.5	79.1
Redundancy	9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	Vapor diffusion, sitting drop *	8.5		used to seeding *

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	reservoir	PEG8000	9-12 (%(w/v))
3	1	reservoir	Tris-HCl	0.1 (M)