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4YW3

Crystal Structure of Streptococcus pneumoniae NanC, complex with Neu5Ac and Neu5Ac2en following soaking with Neu5Ac2en

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU MICROMAX-007 HF
Temperature [K]100
Detector technologyCCD
Collection date2013-09-03
DetectorRIGAKU SATURN 944+
Wavelength(s)1.54178
Spacegroup nameP 1 21 1
Unit cell lengths100.618, 74.729, 113.014
Unit cell angles90.00, 96.35, 90.00
Refinement procedure
Resolution30.000 - 2.050
R-factor0.1732
Rwork0.172
R-free0.20330
Structure solution methodMOLECULAR REPLACEMENT
RMSD bond length0.013
RMSD bond angle1.553
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER (2.5.2)
Refinement softwareREFMAC (5.8.0103)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]30.00030.0002.090
High resolution limit [Å]2.0505.5502.050
Rmerge0.0960.0390.404
Total number of observations333804
Number of reflections97981
<I/σ(I)>10.3
Completeness [%]93.499.255.3
Redundancy3.43.72.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP29816% PEG8000, 20% glycerol, 40mM monopotassium phosphate

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