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7ONX

Crystal structure of PBP3 from P. aeruginosa

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, DESY BEAMLINE P11
Synchrotron sitePETRA III, DESY
BeamlineP11
Temperature [K]100
Detector technologyPIXEL
Collection date2019-05-04
DetectorDECTRIS PILATUS 6M-F
Wavelength(s)1.0332
Spacegroup nameC 1 2 1
Unit cell lengths110.569, 82.205, 91.398
Unit cell angles90.00, 116.26, 90.00
Refinement procedure
Resolution44.400 - 2.160
R-factor0.1834
Rwork0.182
R-free0.21520
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3oc2
RMSD bond length0.003
RMSD bond angle0.579
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwarePHENIX (1.19.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]44.4002.340
High resolution limit [Å]2.1602.160
Rmeas0.1111.015
Number of reflections264041320
<I/σ(I)>7.91.4
Completeness [%]91.457.8
Redundancy3.43
CC(1/2)0.9960.471
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52938 mg/ml PBP3, 0.1 M sodium sulfate, 24% (w/v) Polyvinylpyrrolidone

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