8PJG

F11 TCR in complex with Human Leukocyte Antigen class II allotype DR1 presenting P11T->R modified influenza A virus haemagglutinin (HA)306-318 PKYVKQNTLKLAR

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-07-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.97623
Spacegroup name	P 21 21 2
Unit cell lengths	132.610, 184.820, 50.120
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.310 - 1.830
R-factor	0.1827
Rwork	0.181
R-free	0.21380
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.456
Data reduction software	xia2
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.310	1.900
High resolution limit [Å]	1.830	1.830
Rmerge	0.092	1.635
Rmeas	0.099	1.756
Rpim	0.036	0.636
Number of reflections	108094	10599
<I/σ(I)>	12.76	1.43
Completeness [%]	98.6	97.95
Redundancy	7.4	7.5
CC(1/2)	0.998	0.540

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	291	0.1 M Sodium cacodylate pH 6.5, 15 % PEG8000, 0.2 M ammonium sulphate