5WKF

D30 TCR in complex with HLA-A*11:01-GTS1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2015-04-22
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.954
Spacegroup name	P 21 21 21
Unit cell lengths	88.057, 146.376, 167.557
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.170 - 2.950
R-factor	0.193
Rwork	0.190
R-free	0.25300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.020
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	BUSTER (2.10.3)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	47.170	47.170	3.050
High resolution limit [Å]	2.950	11.430	2.950
Rmerge		0.084	1.345
Number of reflections	46399
<I/σ(I)>	7.2
Completeness [%]	100.0	98.6	100
Redundancy	8.5	7.4	8.7
CC(1/2)		0.995	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	7.5	277	17%PEG8000, 2% Ethylen glycol, 0.1M HEPES pH7.5