3Q5T

V beta/V beta homodimerization-based pre-TCR model suggested by TCR beta crystal structures

Experimental procedure

Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Spacegroup name	C 2 2 21
Unit cell lengths	53.290, 69.829, 126.953
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.047 - 2.005
R-factor	0.2375
Rwork	0.235
R-free	0.28980
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.097
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((phenix.refine: 1.6.4_486))

Data quality characteristics

	Overall
Low resolution limit [Å]	20.000
High resolution limit [Å]	2.000
Number of reflections	16199
<I/σ(I)>	19.2
Completeness [%]	100.0
Redundancy	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	20 % PEG 4000, 100 mM Tris-HCl, pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K