7PB2

Crystal structure of JDI TCR in complex with HLA-A*11:01 bound to KRAS G12D peptide (VVVGADGVGK)

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	PIXEL
Collection date	2017-07-28
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9159
Spacegroup name	P 41 21 2
Unit cell lengths	208.366, 208.366, 124.671
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	147.770 - 3.410
R-factor	0.22912
Rwork	0.228
R-free	0.25370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4uq2 4jrx 4x6b
RMSD bond length	0.002
RMSD bond angle	1.185
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0267)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	147.770	3.470
High resolution limit [Å]	3.410	3.410
Rmerge	0.135	2.603
Rmeas	0.138	2.680
Rpim	0.026	0.622
Number of reflections	38015	1869
<I/σ(I)>	18.7	1.4
Completeness [%]	100.0	99.52
Redundancy	28.5	17.5
CC(1/2)	1.000	0.618

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M ammonium sulfate, 0.1 M Tris pH 8.5, 20 % PEG 8000