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5ZZQ

The crystal structure of Mandelate oxidase with (S)-4-Hydroxymandelic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2017-07-28
DetectorRAYONIX MX300HE
Wavelength(s)1
Spacegroup nameI 4 2 2
Unit cell lengths137.829, 137.829, 111.280
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.320
R-factor0.17568
Rwork0.175
R-free0.18797
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sgz
RMSD bond length0.010
RMSD bond angle1.416
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwareREFMAC (5.8.0049)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.370
High resolution limit [Å]1.3201.320
Rmerge0.0380.800
Number of reflections12434312280
<I/σ(I)>43.52.5
Completeness [%]100.0100
Redundancy12.212
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729335% Tascimate, 0.1M Bis-Tris propane pH 7.0

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