8U5J

Structure of Mango III variant aptamer bound to T01-07M-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	P 32 2 1
Unit cell lengths	55.660, 55.660, 65.715
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	38.870 - 1.700
R-factor	0.2051
Rwork	0.201
R-free	0.23590
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.006
RMSD bond angle	1.161
Data reduction software	DIALS (3.8)
Data scaling software	DIALS (3.8)
Phasing software	PHASER (2.8.3)
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	38.870	1.761
High resolution limit [Å]	1.700	1.700
Number of reflections	13366	1304
<I/σ(I)>	15.29
Completeness [%]	99.6
Redundancy	17.5
CC(1/2)	0.999	0.953

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		294	0.01 M magnesium sulphate heptahydrate, 0.05 M sodium cacodylate trihydrate pH 6.0, 1.8 M lithium sulfate monohydrate