6MTA

KRAS P34R mutant structure in complex with GTP analogue

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	PIXEL
Collection date	2017-03-23
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	C 1 2 1
Unit cell lengths	67.320, 83.572, 84.841
Unit cell angles	90.00, 109.89, 90.00

Refinement procedure

Resolution	49.080 - 2.150
R-factor	0.2061
Rwork	0.204
R-free	0.24330
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.002
RMSD bond angle	0.447
Data reduction software	HKL-3000
Data scaling software	SCALEPACK
Phasing software	PHASER
Refinement software	PHENIX (1.14rc3_3199)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.190
High resolution limit [Å]	2.150	2.150
Rpim	0.044	0.248
Number of reflections	23697	1166
<I/σ(I)>	28.89	3.8
Completeness [%]	99.1	99
Redundancy	6
CC(1/2)	0.970	0.887

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.2	293	1.8 M Na/K-phosphate pH 8.2-8.5