6FUR

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 1 21 1
Unit cell lengths	50.650, 114.860, 85.330
Unit cell angles	90.00, 91.01, 90.00

Refinement procedure

Resolution	46.340 - 1.730
R-factor	0.19101
Rwork	0.189
R-free	0.22563
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6eh6
RMSD bond length	0.018
RMSD bond angle	1.901
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]	46.340	1.770
High resolution limit [Å]	1.730	1.730
Rmerge	0.074	0.656
Rmeas	0.088	0.777
Number of reflections	96229	7382
<I/σ(I)>	11.1	2
Completeness [%]	94.8	98.6
Redundancy	3.3	3.5
CC(1/2)	0.996	0.663

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	291	0.2 M NH4 SO4, 0.1 M MES, 25% PEG 4K