8U5Z

Structure of Mango II variant aptamer bound to T01-7M-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	2022-12-20
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.000
Spacegroup name	C 2 2 21
Unit cell lengths	36.980, 181.080, 107.446
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.270 - 2.500
R-factor	0.1844
Rwork	0.180
R-free	0.22200
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.576
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]	45.270	2.590
High resolution limit [Å]	2.500	2.500
Number of reflections	12754	1213
<I/σ(I)>	15.51
Completeness [%]	98.0
Redundancy	12.5
CC(1/2)	0.998	0.903

Crystallization Conditions

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