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5ZZZ

The crystal structure of Mandelate oxidase Y128C with benzoyl-formic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsNSRRC BEAMLINE BL15A1
Synchrotron siteNSRRC
BeamlineBL15A1
Temperature [K]100
Detector technologyCCD
Collection date2017-10-06
DetectorRAYONIX MX300HE
Wavelength(s)1
Spacegroup nameI 4 2 2
Unit cell lengths138.229, 138.229, 112.134
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution27.109 - 1.446
R-factor0.1757
Rwork0.175
R-free0.19220
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sgz
RMSD bond length0.010
RMSD bond angle1.300
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwarePHENIX (1.9_1692)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.500
High resolution limit [Å]1.4461.446
Rmerge0.0440.754
Number of reflections959719495
<I/σ(I)>33.52.6
Completeness [%]99.9100
Redundancy9.99.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729335% Tascimate, 0.1M Bis-Tris propane pH 7.0

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