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1JAK

Streptomyces plicatus beta-N-acetylhexosaminidase in Complex with (2R,3R,4S,5R)-2-acetamido-3,4-dihydroxy-5-hydroxymethyl-piperidinium chloride (IFG)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsSSRL BEAMLINE BL9-1
Synchrotron siteSSRL
BeamlineBL9-1
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2000-11-16
DetectorMARRESEARCH
Wavelength(s)0.979
Spacegroup nameP 61 2 2
Unit cell lengths132.767, 132.767, 177.024
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution100.000

*

- 1.750
R-factor0.176
Rwork0.176
R-free0.19200
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)1hp4
RMSD bond length0.005
RMSD bond angle1.340

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.000

*

1.780
High resolution limit [Å]1.7501.750
Rmerge0.0430.150
Total number of observations1013193

*

Number of reflections92286

*

4366

*

<I/σ(I)>36.210.9
Completeness [%]99.695.7
Redundancy66
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5

*

298Ammonium sulphate, Tri-sodium citrate, Sodium Chloride, glycerol, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11droptri-sodium citrate50 (mM)pH5.0
21drop300 (mM)
31dropprotein10 (mg/ml)
41reservoirammonium sulfate2.1 (M)
51reservoirtri-sodium citrate100 (mM)pH6.0
61reservoirglycerol20 (%)

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