2VLR

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	P 1
Unit cell lengths	48.622, 95.523, 122.045
Unit cell angles	110.29, 98.64, 93.59

Refinement procedure

Resolution	112.510 - 2.300
R-factor	0.222
Rwork	0.219
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.599
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.380
High resolution limit [Å]	2.300	2.300
Rmerge	0.097	0.560
Number of reflections	1032287
<I/σ(I)>	10.7	1.75
Completeness [%]	97.5	96.1
Redundancy	11.8

Crystallization Conditions

crystal ID	method	pH	temperature	details
1