6E6G

KRAS G13D bound to GDP (K13GDP)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU MICROMAX-007 HF
Temperature [K]	173.15
Detector technology	IMAGE PLATE
Collection date	2014-08-27
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	P 21 21 21
Unit cell lengths	36.096, 37.829, 100.171
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.000 - 1.930
Rwork	0.165
R-free	0.22500
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3k8y
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.960
High resolution limit [Å]	1.930	5.240	1.930
Rmerge	0.101	0.049	0.394
Rmeas	0.111	0.054	0.463
Rpim	0.044	0.021	0.235
Total number of observations	63590
Number of reflections	10737	622	449
<I/σ(I)>	6.4
Completeness [%]	99.0	99.8	87.9
Redundancy	5.9	5.8	3.1
CC(1/2)		0.999	0.796

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291.15	27.5% PEG 3350, 125 mM Na(OAc), 122 mM sodium citrate, 4.0% stabilization buffer (20 mM HEPES, 50 mM NaCl, 20 mM MgCl2, at pH 7.5), Crystals grown in 1uL by 1uL drops of mother liquor to protein (18 mg/mL), No cryoprotectant used for diffraction