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7SDY

[C:Hg2+:U] Metal-mediated DNA base pair in a self-assembling rhombohedral lattice

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyPIXEL
Collection date2020-10-24
DetectorDECTRIS EIGER2 X 9M
Wavelength(s)1.00744
Spacegroup nameH 3
Unit cell lengths106.630, 106.630, 93.346
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution32.820 - 4.450
R-factor0.1766
Rwork0.176
R-free0.19070
Structure solution methodSAD
RMSD bond length0.006
RMSD bond angle0.956
Data reduction softwareautoPROC
Data scaling softwareSTARANISO
Phasing softwareAutoSol
Refinement softwarePHENIX (1.19.2_4158)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]65.64965.6395.027
High resolution limit [Å]4.44910.3264.449
Number of reflections1802200202
<I/σ(I)>6.20.7
Completeness [%]85.447
Redundancy11.3
CC(1/2)0.9970.9970.124
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.8293MOPS, Magnesium sulfate, Mercury chloride

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