1R5W

Evidence that structural rearrangements and/or flexibility during TCR binding can contribute to T-cell activation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL7-1
Synchrotron site	SSRL
Beamline	BL7-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-12-02
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 41
Unit cell lengths	116.132, 116.132, 85.935
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.900
R-factor	0.291
Rwork	0.289
R-free	0.30800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	26.200 *
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	MOLREP
Refinement software	CNS

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	3.000
High resolution limit [Å]	2.900	2.900
Rmerge	0.059	0.436
Total number of observations	82306 *
Number of reflections	26403
<I/σ(I)>	21
Completeness [%]	93.1	83.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.2 *	298	PEG, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 298K

Crystallization Reagents in Literatures

ID	crystal ID	solution	reagent name	concentration (unit)	details
1	1	drop	protein	10 (mg/ml)
2	1	drop	HEPES	10 (mM)	pH7.2
3	1	drop		150 (mM)
4	1	reservoir		2 (M)
5	1	reservoir	sodium acetate	0.1 (M)	pH4.2
6	1	reservoir		0.1 (M)