10NV

Structure of kRas G12C Bound to Inhibitor 13ba

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 17-ID
Synchrotron site	APS
Beamline	17-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-11-17
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	1
Spacegroup name	P 1
Unit cell lengths	33.430, 39.490, 60.690
Unit cell angles	78.68, 82.51, 78.81

Refinement procedure

Resolution	34.987 - 1.520
R-factor	0.1843
Rwork	0.183
R-free	0.20310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.004
RMSD bond angle	0.764
Data reduction software	XDS (20191211)
Data scaling software	STARANISO (2.3.46)
Phasing software	PHASER
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.235	1.547
High resolution limit [Å]	1.520	1.520
Rmerge	0.037	0.299
Rpim	0.037	0.299
Number of reflections	40152	2062
<I/σ(I)>	10	2.2
Completeness [%]	87.9	92.9
Redundancy	1.8	1.9
CC(1/2)	0.997	0.897

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	8.5	293	25-29% PEG4000, 0.2 M CaCl2, 0.1 M Tris pH 8.5