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Structure of D80A-fructofuranosidase from Xanthophyllomyces dendrorhous complexed with fructose and HEPES buffer

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsPETRA III, EMBL c/o DESY BEAMLINE P13 (MX1)
Synchrotron sitePETRA III, EMBL c/o DESY
BeamlineP13 (MX1)
Temperature [K]100
Detector technologyPIXEL
Collection date2014-01-23
DetectorDECTRIS PILATUS 6M
Spacegroup nameP 21 21 2
Unit cell lengths74.661, 205.071, 146.256
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution119.070 - 1.910
R-factor0.17045
Rwork0.170
R-free0.18472
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)5ann
RMSD bond length0.007
RMSD bond angle1.450
Data reduction softwareXDS
Data scaling softwareAimless
Phasing softwareMOLREP
Refinement softwareREFMAC (5.8.0131)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]119.0701.940
High resolution limit [Å]1.9101.910
Rmerge0.0700.480
Number of reflections174276
<I/σ(I)>10.12.1
Completeness [%]100.0100
Redundancy6.87
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
17.5PROTEIN WAS CRYSTALLIZED FROM 1.2M SODIUM CITRATE TRIBASIC DIHYDRATE, 0.1M HEPES PH 7.5

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