6CUH

Crystal structure of the unliganded BC8B TCR

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	2016-12-07
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.95365
Spacegroup name	P 21 21 21
Unit cell lengths	49.616, 76.876, 119.950
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.290 - 2.010
R-factor	0.209
Rwork	0.208
R-free	0.23200
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4qrp 4g8f
RMSD bond length	0.008
RMSD bond angle	1.060
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	BUSTER

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.290	2.070
High resolution limit [Å]	2.010	2.010
Rpim	0.006	0.060
Number of reflections	31312	2266
<I/σ(I)>	9.1
Completeness [%]	100.0	100
Redundancy	6.8	7
CC(1/2)	0.995	0.802

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	PEG 3350, Potassium-sodium tartrate tetrahydrate