7MDP

KRas G12C in complex with G-2897

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	93
Detector technology	PIXEL
Collection date	2019-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0
Spacegroup name	C 1 2 1
Unit cell lengths	149.365, 68.919, 100.543
Unit cell angles	90.00, 114.29, 90.00

Refinement procedure

Resolution	37.902 - 1.960
R-factor	0.1966
Rwork	0.195
R-free	0.22880
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6XC8
RMSD bond length	0.006
RMSD bond angle	0.849
Data reduction software	XDS
Data scaling software	Aimless (0.7.4)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_final)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	37.902	2.180
High resolution limit [Å]	1.960	2.070
Rmerge	0.069	1.640
Rmeas	0.083	1.950
Rpim	0.045	1.043
Total number of observations		28439
Number of reflections	75922	8279
<I/σ(I)>	10.2	0.8
Completeness [%]	99.4	99.8
Redundancy	3.3	3.4
CC(1/2)	0.999	0.400

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1 M MES pH 6.0, 21 % PEG 4K and 0.2 M lithium sulfate