4I4W

Peptide length determines the outcome of T cell receptor/peptide-MHCI engagement

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Spacegroup name	P 21 21 21
Unit cell lengths	49.200, 74.870, 125.820
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.160 - 1.770
R-factor	0.18036
Rwork	0.178
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.020
RMSD bond angle	2.031
Data reduction software	xia2
Data scaling software	SCALA (3.3.20)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0102)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.200	1.820
High resolution limit [Å]	1.770	1.770
Rmerge		0.718
Number of reflections	46011
<I/σ(I)>	10.5	1
Completeness [%]	100.0	100
Redundancy	7.2	6.7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1		7.5	291	0.2M Ammonium sulphate, 22.5% PEG 8K, 0.1M HEPES, pH 7.5, VAPOR DIFFUSION, temperature 291K