9BI2

Crystal structure of GMPPNP bound KRAS G12C in complex with CYPA and RMC-7977

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	2024-03-14
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	65.128, 81.549, 128.179
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.820 - 2.150
R-factor	0.1877
Rwork	0.185
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	0.690
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	29.820	2.190
High resolution limit [Å]	2.150	2.150
Rmeas	0.199	0.767
Number of reflections	37628	1111
<I/σ(I)>	14.24
Completeness [%]	99.9
Redundancy	7.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	100 mM Tris-HCl pH 8.5, 24% PEG 10000