25LU

Mercury-detecting DNA probe in the absence of mercury ion

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE BL-17A
Synchrotron site	Photon Factory
Beamline	BL-17A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2025-06-21
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.98
Spacegroup name	P 43
Unit cell lengths	93.154, 93.154, 25.277
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	31.050 - 2.000
R-factor	0.2218
Rwork	0.217
R-free	0.26280
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.010
RMSD bond angle	1.354
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	31.100	31.100	2.050
High resolution limit [Å]	2.000	8.950	2.000
Rmerge	0.055	0.050	0.328
Rmeas	0.060	0.056	0.356
Number of reflections	15171	195	1102
<I/σ(I)>	20
Completeness [%]	99.9
Redundancy	6.6
CC(1/2)	0.998	0.996	0.950

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293.15	lithium nitrate, MPD, spermine, MOPS