8U5K

Structure of Mango II aptamer bound to T01-6A

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-04-25
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.9762
Spacegroup name	C 2 2 21
Unit cell lengths	37.191, 181.726, 108.760
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	69.730 - 2.800
R-factor	0.2247
Rwork	0.222
R-free	0.23540
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.715
Data reduction software	DIALS (2.2.10)
Data scaling software	DIALS (2.2.10)
Phasing software	PHASER (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	69.730	2.901
High resolution limit [Å]	2.800	2.800
Number of reflections	9509	911
<I/σ(I)>	5.51
Completeness [%]	96.8
Redundancy	6.1
CC(1/2)	0.999	0.491

Crystallization Conditions

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