6CQQ

Crystal structure of F24 TCR -DR15-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	PIXEL
Collection date	2017-05-07
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.984
Spacegroup name	P 1 21 1
Unit cell lengths	76.339, 203.273, 100.245
Unit cell angles	90.00, 109.16, 90.00

Refinement procedure

Resolution	40.990 - 2.800
R-factor	0.209
Rwork	0.207
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mdo 1kgc
RMSD bond length	0.010
RMSD bond angle	1.220
Data reduction software	XDS
Data scaling software	Aimless
Refinement software	BUSTER (2.10.2)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.380	2.860
High resolution limit [Å]	2.800	2.800
Rpim	0.056	0.294
Number of reflections	70105	4010
<I/σ(I)>	12.3
Completeness [%]	99.2
Redundancy	8.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		295	PEG 4000, AmSO4, MgCl