8TVK

KRAS 1-169 G12C Mutant at 100k

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]	100
Detector technology	PIXEL
Collection date	2023-08-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9793
Spacegroup name	P 21 21 21
Unit cell lengths	39.022, 40.545, 91.383
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.670 - 1.040
R-factor	0.1882
Rwork	0.187
R-free	0.20480
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.037
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.670	1.077
High resolution limit [Å]	1.040	1.040
Number of reflections	66735	4345
<I/σ(I)>	7.4
Completeness [%]	94.7
Redundancy	8.2
CC(1/2)	0.998	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	200mM Na Acetate pH 3.6 100mM Tris pH 8.5 20% PEG 3350 1mM DTT