7OW6

Crystal structure of a 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
Synchrotron site	Diamond
Beamline	I04
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-12-03
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	144.156, 144.156, 119.592
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	64.470 - 2.640
R-factor	0.21351
Rwork	0.211
R-free	0.26764
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hn7 6bj2 2f53
RMSD bond length	0.009
RMSD bond angle	1.685
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]	64.470	2.690
High resolution limit [Å]	2.640	2.640
Rmerge	0.115	4.760
Rmeas	0.118	4.848
Rpim	0.023	0.916
Number of reflections	37600	1851
<I/σ(I)>	18.1	0.4
Completeness [%]	100.0	99.89
Redundancy	26.6	27.7
CC(1/2)	1.000	0.363

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium sulfate, 20% w/v PEG 3350