4LDJ

Crystal Structure of a GDP-bound G12C Oncogenic Mutant of Human GTPase KRas

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	CCD
Collection date	2013-01-01
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97918
Spacegroup name	P 21 21 21
Unit cell lengths	39.071, 40.724, 91.431
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	20.696 - 1.150
R-factor	0.1329
Rwork	0.132
R-free	0.16220
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4epv
RMSD bond length	0.015
RMSD bond angle	1.674
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.3)
Refinement software	PHENIX (1.8.2_1309)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.170
High resolution limit [Å]	1.150	3.120	1.150
Rmerge	0.075	0.063	0.317
Number of reflections	52661
<I/σ(I)>	9.6	30.07	2.48
Completeness [%]	99.6	99.2	94.8
Redundancy	7	7.3	3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293	0.2M Sodium Acetate pH4.5, 0.1M Tris pH 8.5, 28% PEG 3350, Vapor Diffusion, Hanging Drop, temperature 293K, VAPOR DIFFUSION, HANGING DROP