6OIM

Crystal Structure of human KRAS G12C covalently bound to AMG 510

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-04-17
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.9774
Spacegroup name	P 21 21 21
Unit cell lengths	40.868, 58.417, 65.884
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	30.000 - 1.650
R-factor	0.18252
Rwork	0.181
R-free	0.21519
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.080
Data reduction software	HKL-2000 (v717)
Data scaling software	HKL-2000 (v717)
Phasing software	MOLREP (v11.2.08)
Refinement software	REFMAC (5.8.0073)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	1.710
High resolution limit [Å]	1.650	1.650
Rmeas	0.184	0.596
Rpim	0.085	0.283
Number of reflections	19647	1840
<I/σ(I)>	6.9	2.54
Completeness [%]	97.0	96.3
Redundancy	4.4	4.2
CC(1/2)		0.797

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	1mM MgCl2, 0.1M MES pH6.5, 30% PEG4000