4QL3

Crystal Structure of a GDP-bound G12R 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	2014-02-12
Detector	ADSC QUANTUM 210r
Wavelength(s)	0.97924
Spacegroup name	P 21 21 21
Unit cell lengths	39.125, 40.908, 91.806
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	24.504 - 1.041
R-factor	0.139
Rwork	0.138
R-free	0.16210
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.452
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER (2.5.5)
Refinement software	PHENIX (1.8.4_1496)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.060
High resolution limit [Å]	1.040	2.820	1.040
Rmerge	0.068	0.030	0.558
Number of reflections	68976
<I/σ(I)>	10		1.93
Completeness [%]	96.6	95.1	81.8
Redundancy	4.6	4.6	2.8

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 3,350, VAPOR DIFFUSION, HANGING DROP, temperature 293K