8U5T

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

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	2022-11-11
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	36.849, 181.111, 105.908
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.280 - 2.200
R-factor	0.1901
Rwork	0.188
R-free	0.23310
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.224
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]	45.280	2.279
High resolution limit [Å]	2.200	2.200
Number of reflections	18555	1812
<I/σ(I)>	9.55
Completeness [%]	99.6
Redundancy	12.8
CC(1/2)	0.999	0.752

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