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5ZZS

The crystal structure of Mandelate oxidase with benzoic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2017-07-29
DetectorRAYONIX MX300HE
Wavelength(s)1
Spacegroup nameI 4 2 2
Unit cell lengths137.938, 137.938, 111.756
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.398
R-factor0.165
Rwork0.164
R-free0.18380
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sgz
RMSD bond length0.015
RMSD bond angle1.365
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX ((1.11.1_2575))
Refinement softwarePHENIX ((1.11.1_2575))
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.450
High resolution limit [Å]1.3981.398
Rmerge0.0390.674
Number of reflections10438910392
<I/σ(I)>32.32.9
Completeness [%]99.099.7
Redundancy9.79.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729335% Tascimate, 0.1M Bis-Tris propane pH 7.0

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