8QMH

Crystal structure of RNA G2C4 repeats in complex with small synthetic molecule ANP77

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU PhotonJet-R
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-07-17
Detector	RIGAKU HyPix-6000HE
Wavelength(s)	1.5406
Spacegroup name	C 2 2 21
Unit cell lengths	29.343, 45.179, 86.280
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	21.850 - 1.100
R-factor	0.1227
Rwork	0.122
R-free	0.17370
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.008
RMSD bond angle	1.384
Data reduction software	CrysalisPro
Data scaling software	SCALA
Phasing software	PHASER
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	21.850	1.160
High resolution limit [Å]	1.100	1.100
Rmerge	0.076	0.560
Rmeas	0.081	0.617
Rpim	0.025	0.254
Number of reflections	23771	3417
<I/σ(I)>	26.9	4.4
Completeness [%]	99.9
Redundancy	16.3
CC(1/2)	0.999	0.894

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6	292	0.08 M NaCl, 0.04 M Na cacodylate trihydrate pH 6.0, 45% v/v MPD, 0.012 M Spermine tetrahydrochloride