8DHC

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	2019-10-25
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9791
Spacegroup name	C 1 2 1
Unit cell lengths	119.126, 29.656, 54.326
Unit cell angles	90.00, 93.10, 90.00

Refinement procedure

Resolution	59.480 - 2.020
R-factor	0.2522
Rwork	0.252
R-free	0.25400
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8cxf
RMSD bond length	0.011
RMSD bond angle	1.228
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.480	2.070
High resolution limit [Å]	2.020	2.020
Rmerge	0.046	1.391
Rmeas	0.054
Rpim	0.027	0.850
Number of reflections	12489	817
<I/σ(I)>	10.6	0.8
Completeness [%]	97.8	87.5
Redundancy	3.9	3.4
CC(1/2)	0.997	0.765

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	293	0.001 M Spermine Tetrahydrochloride, 0.05 M MES pH 6.5, 17% w/v PEG 4K