9K8O

Crystal structure of a short zinc-dependent DNAzyme minGAA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-1A
Synchrotron site	Photon Factory
Beamline	BL-1A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2020-10-26
Detector	DECTRIS EIGER X 4M
Wavelength(s)	1.08
Spacegroup name	P 2 21 21
Unit cell lengths	38.861, 81.881, 81.776
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	40.940 - 3.040
R-factor	0.20995
Rwork	0.205
R-free	0.29728
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.005
RMSD bond angle	1.330
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0258)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	40.940	3.220
High resolution limit [Å]	3.040	3.040
Rmerge	0.046	0.450
Number of reflections	5372	1525
<I/σ(I)>	13.9	1.9
Completeness [%]	99.4
Redundancy	6.29
CC(1/2)	0.999	0.933

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	293	35% MPD, 40 mM sodium cacodylate (7.0), 12 mM spermine, 80 mM NaCl, 12 mM KCl, 1 mM ZnCl2, and 20 mM MgCl2