6MNX

Structural basis of impaired hydrolysis in KRAS Q61H mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	293
Detector technology	PIXEL
Collection date	2017-03-16
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	0.9795
Spacegroup name	P 21 21 21
Unit cell lengths	56.770, 127.666, 145.031
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	47.910 - 2.200
R-factor	0.2069
Rwork	0.204
R-free	0.25420
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4obe
RMSD bond length	0.009
RMSD bond angle	0.713
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	2.240
High resolution limit [Å]	2.190	2.200
Rpim	0.032	0.351
Number of reflections	54159	2368
<I/σ(I)>	24.66	2
Completeness [%]	99.1	89.3
Redundancy	10.4	4.5
CC(1/2)	0.920	0.730

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	293	0.1M MMT, 24% PEG 6000 and 1% 1,2-butanediol, pH 6.5