8U60

Structure of Mango II variant2 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	2022-09-22
Detector	DECTRIS PILATUS3 2M
Wavelength(s)	0.97741
Spacegroup name	C 2 2 21
Unit cell lengths	36.374, 186.217, 104.339
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.510 - 3.300
R-factor	0.2445
Rwork	0.241
R-free	0.29010
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.488
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]	45.510	3.418
High resolution limit [Å]	3.300	3.300
Number of reflections	5691	552
<I/σ(I)>	7.67
Completeness [%]	99.8
Redundancy	12.3
CC(1/2)	0.993	0.770

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		294	Sodium malonate, polyethylene glycol 3,350