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2BSB

E. coli F17e-G lectin domain complex with N-acetylglucosamine

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsEMBL/DESY, HAMBURG BEAMLINE X11
Synchrotron siteEMBL/DESY, HAMBURG
BeamlineX11
Temperature [K]100
Detector technologyCCD
Collection date2004-07-01
DetectorMARRESEARCH
Spacegroup nameI 41 2 2
Unit cell lengths96.921, 96.921, 96.646
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution50.000 - 2.400
R-factor0.249
Rwork0.249
R-free0.31700
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1O9V (CHAIN A)
RMSD bond length0.009
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareCNS (1.0)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.490
High resolution limit [Å]2.4002.400
Rmerge0.0700.790
Number of reflections9212
<I/σ(I)>22.64
Completeness [%]99.7100
Redundancy14.514.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
14.630% PEG 400, 0.1 M CDCL2, 100 MM NA ACETATE PH 4.6

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