8GZM

Crystal structure of Cd2+-bound DNA aptamer T22C mutant

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRF BEAMLINE BL18U1
Synchrotron site	SSRF
Beamline	BL18U1
Temperature [K]	100
Detector technology	CCD
Collection date	2019-06-08
Detector	MARMOSAIC 325 mm CCD
Wavelength(s)	0.979
Spacegroup name	P 43 21 2
Unit cell lengths	46.388, 46.388, 107.301
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.670 - 2.550
R-factor	0.1969
Rwork	0.194
R-free	0.20520
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	2.640
High resolution limit [Å]	2.550	5.480	2.550
Rmerge	0.077	0.055	0.668
Rmeas	0.080	0.057	0.744
Rpim	0.018	0.015	0.698
Total number of observations	94083
Number of reflections	4194	460	391
<I/σ(I)>	14.2
Completeness [%]	99.1	93.9	100
Redundancy	22.4	17.4	21.2
CC(1/2)		0.986	0.843

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	291	10% MPD