1R5V

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 BL11-1
Synchrotron site	SSRL
Beamline	BL11-1
Temperature [K]	100
Detector technology	CCD
Collection date	2002-11-07
Detector	ADSC QUANTUM 4
Wavelength(s)	1
Spacegroup name	P 21 21 21
Unit cell lengths	79.420, 104.650, 120.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.000 - 2.500
R-factor	0.215
Rwork	0.213
R-free	0.24100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.014
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	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.063	0.377
Total number of observations	144043 *
Number of reflections	34039
<I/σ(I)>	22.5
Completeness [%]	94.4	75.6

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	citrate	0.9 (M)
5	1	reservoir	cacodylate	0.1 (M)	pH6.5