7OAW

Crystal structure of the Chili RNA aptamer in complex with DMHBI+

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, DESY BEAMLINE P11
Synchrotron site	PETRA III, DESY
Beamline	P11
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-05-18
Detector	DECTRIS PILATUS3 S 6M
Wavelength(s)	1.0332
Spacegroup name	P 21 21 21
Unit cell lengths	59.071, 100.031, 113.865
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.440 - 2.950
R-factor	0.221
Rwork	0.218
R-free	0.26470
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	7oa3
RMSD bond length	0.001
RMSD bond angle	0.487
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHASER
Refinement software	PHENIX (1.16_3549)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	49.480	3.060
High resolution limit [Å]	2.890	2.890
Rmerge	0.195
Number of reflections	15716	2474
<I/σ(I)>	8.2	0.4
Completeness [%]	99.7
Redundancy	13
CC(1/2)		0.317

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	PEG 400, MES, Spermine tetrahydrochloride