9PZY

Structure of KRAS G12C bound to Divarasib (GDC6036)

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	93
Detector technology	PIXEL
Collection date	2020-06-08
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97915
Spacegroup name	I 2 2 2
Unit cell lengths	71.740, 101.130, 119.020
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.720 - 2.170
R-factor	0.173
Rwork	0.171
R-free	0.21170
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.883
Data reduction software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.700	2.240
High resolution limit [Å]	2.170	2.170
Rmerge	0.112
Number of reflections	23234	2833
<I/σ(I)>	12.6
Completeness [%]	100.0
Redundancy	6.6
CC(1/2)		0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	100mM Tris pH 8.3-8.7, 28%-32% PEG 3350, 200mM MgCl2