8TY2

KRAS 1-169 G12C Mutant at 293k

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	NSLS-II BEAMLINE 17-ID-2
Synchrotron site	NSLS-II
Beamline	17-ID-2
Temperature [K]	293
Detector technology	PIXEL
Collection date	2022-11-17
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	39.410, 42.115, 92.006
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.790 - 1.410
R-factor	0.182
Rwork	0.180
R-free	0.20800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.084
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	24.790	1.432
High resolution limit [Å]	1.410	1.410
Rmerge		2.484
Number of reflections	30359	1393
<I/σ(I)>	11.2
Completeness [%]	99.8
Redundancy	9.6
CC(1/2)	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	200mM Na Acetate pH 3.6 100mM Tris pH 8.5 20% PEG 3350 1mM DTT