6FR9

F11 T-Cell Receptor Recognising PKYVKQNTLKLAT Peptide Presented by HLA-DR*0101

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2012-10-13
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9200
Spacegroup name	P 21 21 2
Unit cell lengths	85.490, 115.360, 50.860
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.810 - 1.620
R-factor	0.18022
Rwork	0.179
R-free	0.21144
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eh6
RMSD bond length	0.017
RMSD bond angle	1.902
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	47.810	1.660
High resolution limit [Å]	1.620	1.620
Rmerge	0.049	0.768
Rmeas	0.053	0.833
Number of reflections	64727	4734
<I/σ(I)>	20.6
Completeness [%]	99.9	100
Redundancy	6.6	7
CC(1/2)	0.999	0.801

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7.5	291	20% PEG 4K, 20% 2-Propanol, 0.1M HEPES