8GZK

Crystal structure of Cd2+-bound DNA aptamer T10A mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL17U1
Synchrotron site	SSRF
Beamline	BL17U1
Temperature [K]	100
Detector technology	CCD
Collection date	2020-12-01
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	C 1 2 1
Unit cell lengths	28.708, 136.379, 51.133
Unit cell angles	90.00, 104.39, 90.00

Refinement procedure

Resolution	28.080 - 2.940
R-factor	0.2365
Rwork	0.233
R-free	0.28940
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	8gzj
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX (1.19.1_4122)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	30.000	30.000	3.060
High resolution limit [Å]	2.940	6.340	2.950
Rmerge	0.091	0.090	0.415
Rmeas	0.102	0.101	0.482
Rpim	0.045	0.045	0.239
Number of reflections	3980	416	373
<I/σ(I)>	11.8
Completeness [%]	97.4	99.5	91.4
Redundancy	5.1	6.5	3.4
CC(1/2)		0.986	0.741

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	10% MPD