7YCC

KRas G12C in complex with Compound 5c

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	90
Detector technology	CCD
Collection date	2015-11-04
Detector	ADSC QUANTUM 270
Wavelength(s)	1
Spacegroup name	C 1 2 1
Unit cell lengths	96.268, 94.407, 67.423
Unit cell angles	90.00, 91.49, 90.00

Refinement procedure

Resolution	33.720 - 1.790
R-factor	0.2139
Rwork	0.212
R-free	0.25500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4l8g
RMSD bond length	0.009
RMSD bond angle	2.188
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0257)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.830
High resolution limit [Å]	1.790	4.880	1.800
Rmerge	0.055	0.038	0.183
Rmeas	0.065	0.045	0.219
Rpim	0.035	0.024	0.119
Number of reflections	53071	2809	2442
<I/σ(I)>	17.4
Completeness [%]	94.4	97.5	85.6
Redundancy	3.4	3.4	3.3
CC(1/2)		0.996	0.962

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	MES, ammonium sulfate, PEG550MME