9BI1

Crystal structure of GMPPNP bound KRAS G12D 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)	0.97933
Spacegroup name	P 21 21 21
Unit cell lengths	65.519, 82.052, 127.902
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.530 - 1.650
R-factor	0.2203
Rwork	0.218
R-free	0.26010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.016
RMSD bond angle	1.265
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.530	1.667
High resolution limit [Å]	1.650	1.650
Rmeas	0.132
Number of reflections	80063	2309
<I/σ(I)>	9.7
Completeness [%]	96.6
Redundancy	8.4
CC(1/2)		0.350

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