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7D82

Crystal Structure of the Domain2 of NAD+ Riboswitch with nicotinamide adenine dinucleotide (NAD+), soaked in Mn2+

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRF BEAMLINE BL19U1
Synchrotron siteSSRF
BeamlineBL19U1
Temperature [K]100
Detector technologyPIXEL
Collection date2020-05-12
DetectorDECTRIS PILATUS3 6M
Wavelength(s)1.2398
Spacegroup nameP 32 2 1
Unit cell lengths75.916, 75.916, 50.289
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution27.516 - 2.489
R-factor0.2238
Rwork0.221
R-free0.27130
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)7d7v
Data reduction softwareHKL-3000
Data scaling softwareHKL-3000
Phasing softwarePHASER
Refinement softwarePHENIX (1.14_3260)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.540
High resolution limit [Å]2.4896.7602.500
Rmerge0.2040.0821.869
Rmeas0.2100.0841.930
Rpim0.0470.0190.474
Number of reflections11307344304
<I/σ(I)>2.3
Completeness [%]99.599.796.8
Redundancy19.218.616.2
CC(1/2)0.9980.773
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP2890.2 M NaCl, 0.1 M CHES pH 9.5, 50% PEG400

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