6GQX

KRAS-169 Q61H GPPNHP + CH-2

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-06-16
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.9763
Spacegroup name	P 21 21 21
Unit cell lengths	63.187, 118.032, 156.371
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	94.210 - 2.200
R-factor	0.20302
Rwork	0.202
R-free	0.23026
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	3gft
RMSD bond length	0.011
RMSD bond angle	1.450
Data reduction software	xia2
Data scaling software	xia2
Phasing software	PHASER
Refinement software	REFMAC (5.8.0222)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	156.000	2.260
High resolution limit [Å]	2.200	2.200
Rmerge	0.097	0.830
Rmeas	0.108	0.939
Rpim	0.047	0.430
Number of reflections	60229	4369
<I/σ(I)>	15.6	3.3
Completeness [%]	100.0	99.8
Redundancy	9.6	8.8
CC(1/2)	0.998	0.908

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