6ASE

KRAS mutant-A59G in GDP-bound

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	2015-10-30
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	34.434, 47.428, 89.703
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.588 - 1.554
R-factor	0.1974
Rwork	0.196
R-free	0.22600
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.036
RMSD bond angle	0.896
Data reduction software	HKL-3000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.580
High resolution limit [Å]	1.550	4.210	1.550
Rmerge	0.088	0.041	0.815
Rmeas	0.095	0.044	0.961
Rpim	0.035	0.016	0.493
Total number of observations	142276
Number of reflections	21284	1213	836
<I/σ(I)>	9.1
Completeness [%]	97.2	99.2	78.2
Redundancy	6.7	7.1	2.9
CC(1/2)		0.998	0.394

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.15 M Cesium chloride, 15 % PEG 3350, 40 mM MgCl2