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1M03

Mutant Streptomyces plicatus beta-hexosaminidase (D313A) in complex with product (GlcNAc)

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2001-08-12
DetectorRIGAKU RAXIS IV
Wavelength(s)1.54
Spacegroup nameP 61 2 2
Unit cell lengths132.903, 132.903, 176.944
Unit cell angles90.00, 90.00, 120.00
Refinement procedure
Resolution38.400

*

- 1.900
R-factor0.194
Rwork0.194
R-free0.21400
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.005
RMSD bond angle23.100

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]40.0001.960
High resolution limit [Å]1.9001.900
Rmerge0.060

*

0.189

*

Total number of observations1251130

*

Number of reflections704315572

*

<I/σ(I)>30.75.8
Completeness [%]96.593.3
Redundancy1717
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6298AMMONIUM SULPHATE, TRI-SODIUM CITRATE, SODIUM CHLORIDE, GLYCEROL, NAG, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11droptrisodium citrate50 (mM)
21drop300 (mM)
31dropprotein10 (mg/ml)
41reservoirammonium sulfate2.1 (M)
51reservoirtrisodium citrate100 (mM)pH6.0
61reservoirglycerol20 (%)

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