9BFY

Tri-complex of Compound-12, KRAS G12C, and CypA

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL12-2
Synchrotron site	SSRL
Beamline	BL12-2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-06-29
Detector	DECTRIS PILATUS 6M
Wavelength(s)	.97946
Spacegroup name	P 1 21 1
Unit cell lengths	48.240, 101.780, 66.810
Unit cell angles	90.00, 90.67, 90.00

Refinement procedure

Resolution	33.400 - 1.260
R-factor	0.1695
Rwork	0.169
R-free	0.18940
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.007
RMSD bond angle	1.029
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]	40.480	1.290
High resolution limit [Å]	1.260	1.260
Rmerge	0.061	1.096
Rmeas	0.073	1.320
Rpim	0.039	0.839
Number of reflections	167844	12166
<I/σ(I)>	10.4	1
Completeness [%]	96.9	95.2
Redundancy	3.3
CC(1/2)	0.999	0.383

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		291	25% PEG 3350, 0.1M Bis Tris, pH 5.5, 150 mM NaCl