8U5P

Structure of Mango II aptamer bound to T01-6A-B

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	2012-07-25
Detector	DECTRIS EIGER2 X 16M
Wavelength(s)	1.10306
Spacegroup name	C 2 2 21
Unit cell lengths	37.212, 183.720, 108.241
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.560 - 2.900
R-factor	0.2158
Rwork	0.213
R-free	0.22320
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.448
Data reduction software	XDS (Feb 5, 2021)
Data scaling software	XDS (Feb 5, 2021)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.560	3.004
High resolution limit [Å]	2.900	2.900
Number of reflections	8556	840
<I/σ(I)>	11.76
Completeness [%]	98.3
Redundancy	6.8
CC(1/2)	0.996	0.761

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	HEPES sodium, polyethylene glycol 400, and ammonium acetate