6E8S

Structure of the iMango-III aptamer bound to TO1-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	2017-05-07
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.495
Spacegroup name	P 21 21 21
Unit cell lengths	63.031, 67.585, 76.667
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	38.333 - 2.350
R-factor	0.1849
Rwork	0.182
R-free	0.20750
RMSD bond length	0.006
RMSD bond angle	1.262
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	SHELXD
Refinement software	PHENIX ((1.14_3260: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.100	2.430
High resolution limit [Å]	2.350	2.350
Number of reflections	14124	1239
<I/σ(I)>	50.6
Completeness [%]	99.9	100
Redundancy	7.2	7.1
CC(1/2)		0.600

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.5	294	0.04 M NaCacadylate pH6.5, 0.08 M NaCl, 0.012 M KCl, 0.02 M MgCl2, 0.012M Spermine, 5.5% Sucrose, 31% MPD