6ULN

Molecular basis for tumor infiltrating TCR recognition of hotspot KRAS-G12D mutation

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-06-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	1.0
Spacegroup name	P 1 21 1
Unit cell lengths	72.787, 74.057, 107.462
Unit cell angles	90.00, 101.68, 90.00

Refinement procedure

Resolution	43.710 - 2.010
R-factor	0.1867
Rwork	0.185
R-free	0.21750
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4nt6 6avg
RMSD bond length	0.004
RMSD bond angle	0.603
Data reduction software	HKL-2000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.710	2.037
High resolution limit [Å]	2.010	2.010
Rmerge	0.152	0.851
Number of reflections	75046	3708
<I/σ(I)>	21.5	2
Completeness [%]	100.0
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	22% PEG 3350, 0.1M MOPS pH 7.1 and 0.25M MgSO4