6CQL

Crystal structure of F24 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	2015-12-12
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.984
Spacegroup name	P 21 21 2
Unit cell lengths	75.531, 205.402, 69.516
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	48.780 - 2.400
R-factor	0.2222
Rwork	0.220
R-free	0.25600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdo 1kgc
RMSD bond length	0.007
RMSD bond angle	1.010
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.10.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	48.800	2.530
High resolution limit [Å]	2.400	2.400
Rpim	0.040	0.375
Number of reflections	43192	6194
<I/σ(I)>	15.5
Completeness [%]	100.0
Redundancy	16.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	Tris-HCl pH 8, NaCl, PEG 3350