7RP2

Crystal structure of Kas G12C in complex with 2H11 CLAMP

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	2018-02-28
Detector	DECTRIS PILATUS 6M
Wavelength(s)	0.9999999
Spacegroup name	C 1 2 1
Unit cell lengths	149.918, 68.796, 101.002
Unit cell angles	90.00, 114.08, 90.00

Refinement procedure

Resolution	48.490 - 2.200
R-factor	0.2084
Rwork	0.208
R-free	0.22490
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4dsu 3r1g
RMSD bond length	0.004
RMSD bond angle	0.991
Data reduction software	XDS
Data scaling software	Aimless (0.5.28)
Phasing software	PHASER
Refinement software	PHENIX (1.12-2829_final)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.490	48.490	2.320
High resolution limit [Å]	2.200	6.960	2.200
Rmerge	0.075	0.042	0.969
Rmeas	0.082	0.045	1.048
Rpim	0.032	0.018	0.396
Total number of observations		9890	48051
Number of reflections	92744	1558	6921
<I/σ(I)>	11.6	30.5	1.8
Completeness [%]	99.8	98.4	100
Redundancy	6.7	6.3	6.9
CC(1/2)	0.999	0.999	0.816

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		292	0.1 M sodium cacodylate pH 6.5, 40% 2-methyl 2,4-pentanediol (MPD), 7% PEG 8000, 0.5% ethyl acetate, 10 mM spermine tetrahydrochloride