8CXF

Crystal structure of an i-motif from the HRAS promoter region

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	196
Detector technology	PIXEL
Collection date	2021-07-08
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9196
Spacegroup name	C 1 2 1
Unit cell lengths	118.392, 31.271, 54.279
Unit cell angles	90.00, 92.93, 90.00

Refinement procedure

Resolution	41.010 - 1.770
R-factor	0.2226
Rwork	0.221
R-free	0.23700
Structure solution method	SAD
RMSD bond length	0.008
RMSD bond angle	0.943
Phasing software	PHENIX (1.18.2_3874)
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.010	1.800
High resolution limit [Å]	1.770	1.770
Rmerge	0.059	1.462
Rmeas	0.062	1.596
Rpim	0.020	0.625
Number of reflections	19101	784
<I/σ(I)>	16.6	0.9
Completeness [%]	95.9	68.5
Redundancy	9.6	6.1
CC(1/2)	0.999	0.725

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	277	0.05 M MES, 17% w/v PEG 4000, X M Spermine Tetrahydrochloride (ADD SPERMINE CONCENTRATION)