6ASA

KRAS mutant-D33E 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	2015-11-15
Detector	ADSC QUANTUM 315
Wavelength(s)	0.979
Spacegroup name	P 21 21 21
Unit cell lengths	34.527, 47.075, 90.765
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	32.672 - 2.545
R-factor	0.1938
Rwork	0.186
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.017
RMSD bond angle	0.977
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	2.590
High resolution limit [Å]	2.545	6.920	2.550
Rmerge	0.159	0.072	0.574
Rmeas	0.179	0.082	0.681
Rpim	0.080	0.037	0.356
Number of reflections	4713	271	148
<I/σ(I)>	7
Completeness [%]	90.3	87.4	60.4
Redundancy	4.1	4.6	2.8
CC(1/2)		0.991	0.680

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION		293	0.1 M Tris pH 8.5, 200 mM MgCl2, 25 % PEG 3350