4GKZ

HA1.7, a MHC class II restricted TCR specific for haemagglutinin

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	CCD
Collection date	2011-04-09
Detector	ADSC QUANTUM 4
Wavelength(s)	0.91730
Spacegroup name	P 1 21 1
Unit cell lengths	69.240, 49.660, 72.610
Unit cell angles	90.00, 94.33, 90.00

Refinement procedure

Resolution	26.360 - 2.390
R-factor	0.25127
Rwork	0.249
R-free	0.29812
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1fyt
RMSD bond length	0.017
RMSD bond angle	1.745
Data reduction software	xia2
Data scaling software	SCALA (3.3.16)
Phasing software	PHASER
Refinement software	REFMAC (5.5.0109)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	26.364	26.364	2.450
High resolution limit [Å]	2.390	10.690	2.390
Rmerge		0.014	0.576
Number of reflections	19445
<I/σ(I)>	18.9	41.1	1.3
Completeness [%]	98.4	93.6	99.6
Redundancy	3.8	3.6	3.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	8.5	293	100 mM Bis-Tris Propane, 200mM Sodium Bromide, 20% PEG 3350, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K