9BHP

Crystal structure of KRAS G12C in a transition state mimetic 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	2023-12-01
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	65.456, 82.648, 127.829
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	29.810 - 2.100
R-factor	0.212
Rwork	0.210
R-free	0.25340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	0.662
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]	29.810	2.140
High resolution limit [Å]	2.100	2.100
Rmeas	0.105	0.786
Number of reflections	40726	1972
<I/σ(I)>	21.34
Completeness [%]	98.7
Redundancy	7

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291.15	100 mM Tris-HCl pH 8.5, 20% PEG 10000