12CJ

Apo structure of dopamine-binding aptamer, DGR-1B

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.1
Synchrotron site	ALS
Beamline	8.2.1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-10-03
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.99992
Spacegroup name	C 1 2 1
Unit cell lengths	162.764, 35.927, 97.279
Unit cell angles	90.00, 120.64, 90.00

Refinement procedure

Resolution	43.830 - 2.930
R-factor	0.2036
Rwork	0.202
R-free	0.24800
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.002
RMSD bond angle	0.578
Data reduction software	DIALS
Data scaling software	DIALS
Phasing software	PHENIX
Refinement software	PHENIX (1.14_3260)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	43.940	3.010
High resolution limit [Å]	2.930	2.930
Rmerge	0.129	1.380
Rmeas	0.139	1.485
Rpim	0.052	0.544
Number of reflections	10888	802
<I/σ(I)>	10.5
Completeness [%]	100.0
Redundancy	7.2
CC(1/2)	0.998	0.746

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	10% v/v MPD, 20 mM spermine, 50 mM strontium chloride, 50 mM lithium chloride, 40 mM sodium cacodylate