4L9S

Crystal Structure of H-Ras G12C, GDP-bound

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.3.1
Synchrotron site	ALS
Beamline	8.3.1
Temperature [K]	100
Detector technology	CCD
Collection date	2010-01-16
Detector	ADSC QUANTUM 315r
Wavelength(s)	1.1159
Spacegroup name	H 3 2
Unit cell lengths	92.725, 92.725, 121.897
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	21.505 - 1.606
R-factor	0.1561
Rwork	0.155
R-free	0.17290
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gft
RMSD bond length	0.010
RMSD bond angle	1.303
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.4)
Refinement software	PHENIX (dev_1402)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	25.000	25.000	1.640
High resolution limit [Å]	1.606	4.360	1.606
Rmerge	0.050	0.025	0.384
Number of reflections	26379
<I/σ(I)>	19.6
Completeness [%]	99.7	95.5	100
Redundancy	6.5	6.3	6.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	17% PEG8000, 0.1M CaCl2, 0.1M TRIS, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K