8TFN

Structure of anti-TCRvbeta6-5 antibody in complex with the cognate TCR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 23-ID-D
Synchrotron site	APS
Beamline	23-ID-D
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.03320
Spacegroup name	P 2 21 2
Unit cell lengths	64.588, 118.865, 173.021
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	86.510 - 2.540
R-factor	0.2472
Rwork	0.245
R-free	0.29380
Structure solution method	MOLECULAR REPLACEMENT
Data reduction software	DIALS
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.510	2.580
High resolution limit [Å]	2.540	2.540
Rmerge	0.150
Rmeas	0.160
Number of reflections	44885	2247
<I/σ(I)>	6.6	0.1
Completeness [%]	100.0	100
Redundancy	12.6	11.5
CC(1/2)	0.997	0.351

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	Cystalline precipitate was observed in 20% PEG3350 and 0.2 M Magnesium Sulfate. 10 mM Strontium chloride as an additive resulted in well-formed crystals after 5-7 days. The final crystal was cryoprotected in a solution containing 20% PEG3350, 0.2 M Magnesium Sulfate and 10% glycerol