6E6F

KRAS G13D bound to GppNHp (K13GNP)

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	2015-02-03
Detector	RIGAKU RAXIS IV++
Wavelength(s)	1.54178
Spacegroup name	C 1 2 1
Unit cell lengths	114.486, 39.096, 89.319
Unit cell angles	90.00, 124.37, 90.00

Refinement procedure

Resolution	36.100 - 3.401
R-factor	0.187
Rwork	0.182
R-free	0.25800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.011
RMSD bond angle	1.375
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	3.050
High resolution limit [Å]	3.000	8.130	3.000
Rmerge	0.140	0.067	0.412
Rmeas	0.160	0.075	0.542
Rpim	0.074	0.033	0.348
Total number of observations	22660
Number of reflections	4526	362	163
<I/σ(I)>	6.6
Completeness [%]	97.0	95.5	46
Redundancy	3.7	4.3	1.6
CC(1/2)		0.986	0.732

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5.6	291.15	5 mM Sodium acetate, 91 mM sodium citrate tribasic, 183 mM Ammonium acetate, 27.2% PEG 4000, 4.3% stabilization buffer (20 mM HEPES, 50 mM NaCl, 20 mM MgCl2, at pH 7.5), crystals grown 1uL by 1uL mother liquor to protein (22mg/mL), No cryoprotectant was used for diffraction