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4FOY

Crystal structure of the NanB sialidase from streptococcus pneumoniae in complex with 2-(Benzylammonio)ethanesulfonate

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2011-05-10
DetectorRIGAKU SATURN 944
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths76.318, 82.596, 117.019
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.633 - 1.843
R-factor0.1779
Rwork0.176
R-free0.21310
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.007
RMSD bond angle1.113
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.1.4)
Refinement softwarePHENIX (1.7.3_928)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0001.870
High resolution limit [Å]1.8404.9901.840
Rmerge0.0670.0380.276
Number of reflections64163
<I/σ(I)>16.4
Completeness [%]98.996.189.2
Redundancy4.64.73.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, SITTING DROP82987% PEG 8000, 0.1M IMIDAZOLE, pH 8.0, vapor diffusion, sitting drop, temperature 298K

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