5UZA

Adenine riboswitch aptamer domain labelled with iodo-uridine by position-selective labelling of RNA (PLOR)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 19-ID
Synchrotron site	APS
Beamline	19-ID
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-10-18
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.55
Spacegroup name	P 21 21 2
Unit cell lengths	48.985, 151.575, 24.735
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.611 - 2.220
R-factor	0.217
Rwork	0.215
R-free	0.25090
Structure solution method	SAD
RMSD bond length	0.005
RMSD bond angle	0.386
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHELXD
Refinement software	PHENIX (dev_2447)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.611	50.000	2.300
High resolution limit [Å]	2.220	4.780	2.220
Rmerge	0.048	0.029	0.658
Rmeas	0.051	0.031	0.729
Rpim	0.017	0.011	0.307
Number of reflections	17080
<I/σ(I)>	12
Completeness [%]	99.7	98.1	99.3
Redundancy	8.5	8	5.2
CC(1/2)		0.998	0.775

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	50mM Tris-HCl (pH:8.5), 100mM KCl, 10mM MgCl2 and 30% Polyethylene Glycol 400