9I0V

Crystal structure of DasR in complex with a synthetic DasR-binding RNA aptamer

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2)
Synchrotron site	PETRA III, EMBL c/o DESY
Beamline	P14 (MX2)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-12-02
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.97625
Spacegroup name	P 1 21 1
Unit cell lengths	78.938, 51.327, 116.400
Unit cell angles	90.00, 108.73, 90.00

Refinement procedure

Resolution	42.310 - 2.020
R-factor	0.207
Rwork	0.204
R-free	0.25410
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	0.648
Data reduction software	XDS
Data scaling software	STARANISO
Phasing software	PHASER
Refinement software	PHENIX (1.21_5207)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.320	2.195
High resolution limit [Å]	2.020	2.023
Rmerge	0.088	0.888
Rmeas	0.095	0.960
Rpim	0.036	0.359
Number of reflections	31574	1579
<I/σ(I)>	11.1	2.106
Completeness [%]	54.3	12.65
Redundancy	6.85	6.77
CC(1/2)	0.997	0.941

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		292.15	0.15 M potassium bromide, 30% w/v polyethylene glycol monomethyl ether 2,000, 30% v/v ethylene glycol. (Hampton Research Index Screen solution 96 + Hampton Research Additive Screen solution 61; ratio 10:1)