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7O2T

PqsR (MvfR) in complex with antagonist 61

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 lengths119.788, 119.788, 116.499
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution77.470 - 2.650
Rwork0.232
R-free0.26060
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)4jvc
RMSD bond length0.004
RMSD bond angle1.320
Data reduction softwareDIALS
Data scaling softwareAimless
Refinement softwareREFMAC (5.8.0258)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]77.5902.780
High resolution limit [Å]2.6502.650
Number of reflections1487419002
<I/σ(I)>10.72
Completeness [%]99.9
Redundancy9.3
CC(1/2)0.8060.676
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP293100 mM Trisodium Citrate 200 mM Ammonium acetate 4-10% MPD

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