6DB8

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	2017-08-21
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.979
Spacegroup name	C 2 2 21
Unit cell lengths	109.158, 118.442, 119.310
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	37.590 - 1.865
R-factor	0.219691816645
Rwork	0.219
R-free	0.23311
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4zke
RMSD bond length	0.004
RMSD bond angle	0.740
Phasing software	PHENIX (1.11.1_2575)
Refinement software	PHENIX (1.11.1_2575)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	80.270	1.910
High resolution limit [Å]	1.860	1.860
Rmerge	0.060	2.300
Rmeas	0.062	2.405
Rpim	0.017	0.685
Number of reflections	63989	3915
<I/σ(I)>	21.6	0.9
Completeness [%]	99.2	94.9
Redundancy	12.9	11.5
CC(1/2)	1.000	0.476

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		298	50 mM MES, pH 5.6, 10 mM MgCl2, 1.8 M LiSO4