8TY9

KRAS 1-169 G12C Mutant at 313k

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]	313
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	39.423, 41.740, 92.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.930 - 1.430
R-factor	0.1929
Rwork	0.192
R-free	0.21300
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.142
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]	30.930	1.450
High resolution limit [Å]	1.426	1.426
Rmerge	0.183	4.788
Number of reflections	29134	1423
<I/σ(I)>	6.6
Completeness [%]	100.0
Redundancy	9.4
CC(1/2)	0.997	0.404

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