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8W39

Vibrio vulnificus SmcR bound to the inhibitor PTSP

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSLS-II BEAMLINE 19-ID
Synchrotron siteNSLS-II
Beamline19-ID
Temperature [K]80
Detector technologyPIXEL
Collection date2022-07-22
DetectorDECTRIS EIGER2 XE 9M
Wavelength(s)1
Spacegroup nameP 21 21 21
Unit cell lengths58.011, 64.654, 138.729
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution43.178 - 2.100
R-factor0.2726
Rwork0.271
R-free0.29980
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.010
RMSD bond angle1.303
Data reduction softwareXDS
Data scaling softwarepointless
Phasing softwareBUCCANEER
Refinement softwarePHENIX (1.13_2998)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]47.2902.180
High resolution limit [Å]2.1002.100
Rmerge0.1250.217
Number of reflections312602538
<I/σ(I)>15.1
Completeness [%]99.3
Redundancy6.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP2932.0 MgSO4, 0.1 M MES pH 6.5

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