6EH6

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)	0.92
Spacegroup name	P 21 21 2
Unit cell lengths	85.780, 114.080, 50.720
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.720 - 1.780
R-factor	0.1953
Rwork	0.194
R-free	0.22360
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4gkz
RMSD bond length	0.020
RMSD bond angle	2.008
Data reduction software	xia2
Data scaling software	Aimless (0.1.16)
Phasing software	PHASER
Refinement software	REFMAC (5.8.0049)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.720	50.720	1.830
High resolution limit [Å]	1.780	7.960	1.780
Rmerge	0.049	0.021	0.808
Rmeas	0.053	0.024	0.875
Rpim	0.021	0.010	0.334
Number of reflections	48509
<I/σ(I)>	22.5
Completeness [%]	99.9	99.8	100
Redundancy	6.5	6.1	6.8
CC(1/2)	1.000	0.999	0.818

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 1.5K, 100mM MMT pH 6.0