8U5R

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.2
Synchrotron site	ALS
Beamline	5.0.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2022-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	36.929, 180.748, 106.248
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.800 - 2.600
R-factor	0.2054
Rwork	0.200
R-free	0.23900
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.001
RMSD bond angle	0.364
Data reduction software	DIALS (3.8)
Data scaling software	DIALS (3.8)
Phasing software	PHENIX (1.19.2_4158)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	45.800	2.693
High resolution limit [Å]	2.600	2.600
Number of reflections	11414	1114
<I/σ(I)>	16.83
Completeness [%]	99.7
Redundancy	12.3
CC(1/2)	0.999	0.823

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	Magnesium chloride hexahydrate, MOPS, Tacsimate, hexamine cobalt (III) chloride, and 1-propanol