8D5L

Crystal structure of theophylline aptamer in complex with TAL1

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.3
Synchrotron site	ALS
Beamline	5.0.3
Temperature [K]	100
Detector technology	CCD
Collection date	2020-03-11
Detector	ADSC QUANTUM 315r
Wavelength(s)	0.97648
Spacegroup name	P 1
Unit cell lengths	25.606, 50.271, 79.845
Unit cell angles	94.28, 91.53, 90.13

Refinement procedure

Resolution	41.060 - 1.640
R-factor	0.1946
Rwork	0.193
R-free	0.22140
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1o15
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHENIX
Refinement software	PHENIX (1.20.1_4487)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	41.060	1.702
High resolution limit [Å]	1.640	1.640
Number of reflections	46505	10593
<I/σ(I)>	8.3
Completeness [%]	95.9
Redundancy	3.2
CC(1/2)	0.997	0.877

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	Calcium Acetate, PEG 3350