6DB9

Structural basis for promiscuous binding and activation of fluorogenic dyes by DIR2s RNA aptamer

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]	100
Detector technology	PIXEL
Collection date	2017-06-11
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979200
Spacegroup name	P 21 21 21
Unit cell lengths	83.780, 83.805, 109.926
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	66.640 - 2.025
R-factor	0.2311
Rwork	0.230
R-free	0.25700
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zke
RMSD bond length	0.003
RMSD bond angle	0.758
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	83.810	2.080
High resolution limit [Å]	2.025	2.025
Rmerge	0.040	1.566
Rmeas	0.044
Rpim	0.019	0.811
Number of reflections	50597	3602
<I/σ(I)>	20.1	0.9
Completeness [%]	99.3	96.9
Redundancy	5.1	4.9
CC(1/2)	0.995	0.380

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	15 % v/v 2-Propanol, 50 mM MES pH 6.0 20 mM MgCl2