2VLM

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 61
Unit cell lengths	87.371, 87.371, 110.397
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	28.150 - 1.980
R-factor	0.208
Rwork	0.204
R-free	0.27900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.013
RMSD bond angle	1.492
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	2.030
High resolution limit [Å]	1.980	1.980
Rmerge	0.060	0.680
Number of reflections	31111
<I/σ(I)>	36.1	3.9
Completeness [%]	93.3	99.4
Redundancy	30.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1