6UP0

Structure of the Mango-III fluorescent aptamer bound to YO3-Biotin

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	2018-08-24
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	62.284, 66.921, 76.628
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	50.410 - 2.800
R-factor	0.1777
Rwork	0.174
R-free	0.21460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6e8s
RMSD bond length	0.006
RMSD bond angle	1.198
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	PHENIX (1.14_3211)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.410	2.900
High resolution limit [Å]	2.720	2.800
Rmerge	1.000
Number of reflections	16604	1351
<I/σ(I)>	27.6
Completeness [%]	99.9
Redundancy	6.3
CC(1/2)	0.340	0.340

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	294	40 mM sodium cacodylate, 0.08 M sodium chloride, 0.012 M potassium chloride, 0.02 M magnesium chloride, 0.012 M spermine, 5.5% sucrose, 31% MPD