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6A0M

Mandelate oxidase mutant-Y128F with 2-Phenylacetic acid

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSPRING-8 BEAMLINE BL44XU
Synchrotron siteSPring-8
BeamlineBL44XU
Temperature [K]100
Detector technologyCCD
Collection date2016-04-23
DetectorBruker DIP-6040
Wavelength(s)1
Spacegroup nameI 4 2 2
Unit cell lengths138.150, 138.150, 111.217
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution30.000 - 1.750
R-factor0.16396
Rwork0.163
R-free0.18519
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3sgz
RMSD bond length0.018
RMSD bond angle1.834
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwarePHENIX
Refinement softwareREFMAC (5.8.0218)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]30.0001.810
High resolution limit [Å]1.7501.750
Rmerge0.0370.790
Rpim0.0210.360
Number of reflections540925363
<I/σ(I)>35.82
Completeness [%]99.9100
Redundancy9.37.8
CC(1/2)0.768
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP729335% Tascimate, 0.1M Bis-Tris propane pH 7.0

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