9VGX

DNA-Stabilized Triangular Mercury(II) Nanocluster

This is a non-PDB format compatible entry.

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PHOTON FACTORY BEAMLINE AR-NE3A
Synchrotron site	Photon Factory
Beamline	AR-NE3A
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-11-17
Detector	DECTRIS PILATUS 2M-F
Wavelength(s)	1.0
Spacegroup name	P 31 2 1
Unit cell lengths	62.985, 62.985, 43.924
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	34.200 - 3.100
R-factor	0.166
Rwork	0.164
R-free	0.18200
Structure solution method	SAD
RMSD bond length	0.009
RMSD bond angle	1.360
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	AutoSol
Refinement software	PHENIX ((1.20.1_4487: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	34.200	3.180
High resolution limit [Å]	3.100	3.100
Rmerge	0.080	0.327
Number of reflections	3551
<I/σ(I)>	14.38
Completeness [%]	100.0
Redundancy	5.3

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP		293	MOPS, Spermine, MPD, NaNO3