7OW5

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

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	2020-12-02
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.9795
Spacegroup name	P 41 2 2
Unit cell lengths	145.552, 145.552, 120.599
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	65.090 - 2.580
R-factor	0.2094
Rwork	0.206
R-free	0.27356
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2hn7 6bj2 2f53
RMSD bond length	0.009
RMSD bond angle	1.767
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]	65.090	2.620
High resolution limit [Å]	2.580	2.580
Rmerge	0.151	5.709
Rmeas	0.153	5.816
Rpim	0.030	1.102
Number of reflections	41420	2057
<I/σ(I)>	14.7	0.3
Completeness [%]	100.0	100
Redundancy	26.7	27.6
CC(1/2)	0.999	0.343

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	0.2 M Ammonium citrate tribasic pH 7.0, 20% w/v PEG 3350