6GOM

KRAS-169 Q61H GPPNHP + PPIN-1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I04-1
Synchrotron site	Diamond
Beamline	I04-1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-13
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9282
Spacegroup name	P 21 21 21
Unit cell lengths	64.180, 119.840, 158.600
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.130 - 1.630
R-factor	0.18673
Rwork	0.186
R-free	0.20684
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gft
RMSD bond length	0.019
RMSD bond angle	1.939
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	66.130	1.670
High resolution limit [Å]	1.630	1.630
Rmerge	0.088	1.760
Rmeas	0.088	1.860
Rpim	0.025	0.620
Number of reflections	152914	7534
<I/σ(I)>	15.9
Completeness [%]	100.0	99.3
Redundancy	12.4	9
CC(1/2)	1.000	0.500

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	8-15% w/v Polyethylene glycol 3350 and 0.2 M Lithium citrate