6DFX

human diabetogenic TCR T1D3 in complex with DQ8-p8E9E peptide

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-E
Synchrotron site	APS
Beamline	24-ID-E
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-22
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.979100
Spacegroup name	P 1 21 1
Unit cell lengths	111.705, 88.896, 116.777
Unit cell angles	90.00, 104.26, 90.00

Refinement procedure

Resolution	50.010 - 2.030
R-factor	0.18273
Rwork	0.181
R-free	0.21657
RMSD bond length	0.028
RMSD bond angle	2.493
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0135)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.200
High resolution limit [Å]	2.030	2.030
Number of reflections	142449
<I/σ(I)>	14.4
Completeness [%]	98.1
Redundancy	4.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		278	10% PEG 8000, 100mM cacodylate pH6.2, 400mM NaCl