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2WO5

Structure of wild type E. coli N-acetylneuraminic acid lyase in space group P21 crystal form I

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsDIAMOND BEAMLINE I02
Synchrotron siteDiamond
BeamlineI02
Temperature [K]100
Detector technologyCCD
Collection date2008-10-25
DetectorADSC CCD
Spacegroup nameP 1 21 1
Unit cell lengths54.795, 142.167, 84.180
Unit cell angles90.00, 109.01, 90.00
Refinement procedure
Resolution71.090 - 2.200
R-factor0.21424
Rwork0.211
R-free0.27151
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2wnn
RMSD bond length0.013
RMSD bond angle1.462
Data reduction softwareMOSFLM
Data scaling softwareSCALA
Phasing softwareREFMAC
Refinement softwareREFMAC (5.5.0097)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]79.5602.320
High resolution limit [Å]2.2002.200
Rmerge0.1100.470
Number of reflections61635
<I/σ(I)>7.62.7
Completeness [%]100.0100
Redundancy3.73.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
18100MM TRIS-HCL PH 8.0, 200MM NACL, 18% PEG3350

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