6FUN

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	85.080, 115.300, 50.650
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.370 - 1.580
R-factor	0.17542
Rwork	0.174
R-free	0.20743
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eh6
RMSD bond length	0.017
RMSD bond angle	1.904
Data reduction software	xia2
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.370	1.620
High resolution limit [Å]	1.580	1.580
Rmerge	0.041	0.654
Rmeas	0.045	0.707
Number of reflections	69019	5006
<I/σ(I)>	23.6	3.1
Completeness [%]	99.0	100
Redundancy	6.6	7
CC(1/2)	0.999	0.841

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	0.2M Na Malonate, 20% PEG 3350