6N65

KRAS G-quadruplex G16T mutant.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2018-08-23
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.95372
Spacegroup name	P 1 21 1
Unit cell lengths	33.693, 30.127, 52.970
Unit cell angles	90.00, 94.51, 90.00

Refinement procedure

Resolution	29.409 - 1.600
R-factor	0.2115
Rwork	0.210
R-free	0.24070
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	5i2v
Data reduction software	XDS
Data scaling software	Aimless (0.7.3)
Phasing software	MOLREP
Refinement software	PHENIX

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.130	1.630
High resolution limit [Å]	1.600	1.600
Rmerge	0.054	0.310
Rmeas	0.059	0.349
Rpim	0.024	0.156
Total number of observations	86330
Number of reflections	13756	501
<I/σ(I)>	16
Completeness [%]	96.5	74.2
Redundancy	6.3	4.7
CC(1/2)	0.999	0.976

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	293	0.08 M sodium chloride, 0.012 M potassium chloride, 0.02 magnesium chloride hexahydrate, 0.04 M sodium cacodylate trihydrate pH 7.0, 35% MPD, 0.012 M spermine tetrahydrochloride.