7L0G

Monobody 12VC1 Bound to HRAS(G12C)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-03-24
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.979
Spacegroup name	P 1 21 1
Unit cell lengths	71.834, 62.596, 123.404
Unit cell angles	90.00, 101.22, 90.00

Refinement procedure

Resolution	46.840 - 2.540
R-factor	0.19633
Rwork	0.195
R-free	0.22852
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4g0n
RMSD bond length	0.009
RMSD bond angle	1.344
Data reduction software	HKL-3000
Data scaling software	HKL-3000
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	2.280
High resolution limit [Å]	2.240	6.080	2.240
Rmerge	0.174	0.118	0.900
Rmeas	0.197	0.134	1.014
Rpim	0.091	0.064	0.462
Total number of observations	247542
Number of reflections	51349	2681	2519
<I/σ(I)>	3.7
Completeness [%]	98.6	98.5	99.1
Redundancy	4.8	4.5	4.6
CC(1/2)		0.988	0.737

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		291	0.225 M Potassium sodium tartrate tetrahydrate, 15% w/v Polyethylene glycol 3,350