6CQN

Crystal structure of F5 TCR -DR11-RQ13 peptide complex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	CCD
Collection date	2016-04-01
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.984
Spacegroup name	P 21 21 2
Unit cell lengths	75.317, 205.792, 70.229
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.480 - 2.500
R-factor	0.1986
Rwork	0.196
R-free	0.25070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdo 1kgc
RMSD bond length	0.009
RMSD bond angle	1.100
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.960	2.600
High resolution limit [Å]	2.500	2.500
Rpim	0.056	0.415
Number of reflections	38652	4320
<I/σ(I)>	13.4
Completeness [%]	100.0
Redundancy	9.9

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	MgCl, Am SO4,PEG 3350