6FRC

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	85.280, 114.810, 50.700
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.380 - 1.590
R-factor	0.1756
Rwork	0.174
R-free	0.19751
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eh6
RMSD bond length	0.018
RMSD bond angle	1.952
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]	46.380	1.630
High resolution limit [Å]	1.590	1.590
Rmerge	0.043	0.720
Rmeas	0.047	0.779
Number of reflections	67125	4908
<I/σ(I)>	22.7	2.9
Completeness [%]	99.7	100
Redundancy	6.6	6.9
CC(1/2)	1.000	0.824

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.2M NaF, 0.1M Bis-Tris Propane, 20% PEG 3350