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7O2U

PqsR (MvfR) in complex with antagonist 40

This is a non-PDB format compatible entry.
Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I04
Synchrotron siteDiamond
BeamlineI04
Temperature [K]100
Detector technologyPIXEL
Collection date2018-10-21
DetectorDECTRIS EIGER2 X 16M
Wavelength(s)0.9159
Spacegroup nameP 65 2 2
Unit cell lengths120.433, 120.433, 115.784
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution77.614 - 3.000
Rwork0.222
R-free0.26700
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4jvc
RMSD bond length0.003
RMSD bond angle1.302
Data reduction softwareDIALS
Data scaling softwareAimless
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]104.3003.180
High resolution limit [Å]3.0003.000
Number of reflections102591621
<I/σ(I)>17.31.2
Completeness [%]99.1
Redundancy18.6
CC(1/2)1.0000.887
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293100 mM Trisodium Citrate 200 mM Ammonium acetate 4-10% MPD

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