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3IV8

N-acetylglucosamine-6-phosphate deacetylase from Vibrio cholerae complexed with fructose 6-phosphate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 19-BM
Synchrotron siteAPS
Beamline19-BM
Temperature [K]100
Detector technologyCCD
Collection date2008-10-02
DetectorSBC-3
Wavelength(s)0.9792
Spacegroup nameP 21 21 21
Unit cell lengths83.181, 123.047, 156.286
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution35.180 - 2.530
R-factor0.186
Rwork0.183
R-free0.25300
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)3egj
RMSD bond length0.016
RMSD bond angle1.609
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareMOLREP
Refinement softwareREFMAC (5.5.0102)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]35.2002.570
High resolution limit [Å]2.5302.530
Rmerge0.1110.680
Number of reflections54289
<I/σ(I)>6.72.09
Completeness [%]99.9100
Redundancy6.85.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP7.52890.2 M di-sodium hydrogen phosphate, 20% PEG-3350, 5 mM fructose 6-phosphate, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K

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