2VLK

The Structural Dynamics and Energetics of an Immunodominant T-cell Receptor are Programmed by its Vbeta Domain

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID14-2
Synchrotron site	ESRF
Beamline	ID14-2
Temperature [K]	100
Detector technology	CCD
Detector	ADSC CCD
Spacegroup name	C 1 2 1
Unit cell lengths	210.800, 47.892, 112.819
Unit cell angles	90.00, 112.34, 90.00

Refinement procedure

Resolution	104.260 - 2.500
R-factor	0.221
Rwork	0.218
R-free	0.28800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.015
RMSD bond angle	1.561
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.590
High resolution limit [Å]	2.500	2.500
Rmerge	0.120	0.790
Number of reflections	40395
<I/σ(I)>	10.3	2.3
Completeness [%]	99.8	99.9
Redundancy	11.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1