4L8G

Crystal Structure of K-Ras G12C, GDP-bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	CCD
Collection date	2010-04-25
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.9999
Spacegroup name	P 63
Unit cell lengths	82.146, 82.146, 39.513
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.731 - 1.521
R-factor	0.151
Rwork	0.148
R-free	0.18040
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gft
RMSD bond length	0.019
RMSD bond angle	1.868
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.2.4)
Refinement software	PHENIX (dev_1402)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	20.000	1.550
High resolution limit [Å]	1.520	1.520
Rmerge	0.042	0.349
Number of reflections	23541
<I/σ(I)>	38.873	5
Completeness [%]	99.9	100
Redundancy	6.7	6.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	21% PEG3350, 0.2M CaCl2, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K