7JWI

Crystal structure of B17.R2 TCR in complex with H2D-b-NP366

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	CCD
Collection date	2018-02-27
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.954
Spacegroup name	I 2 2 2
Unit cell lengths	91.668, 140.997, 217.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	44.270 - 3.020
Rwork	0.239
R-free	0.28100
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5swz
Data reduction software	XFIT
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	44.270	3.130
High resolution limit [Å]	3.020	3.020
Number of reflections	28123	2781
<I/σ(I)>	11.53	1.82
Completeness [%]	100.0
Redundancy	2
CC(1/2)	0.990	0.800

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	298	20% PEG3350, 0.2 M potassium/sodium tartrate, 0.1 M Bis-tris propane