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3FIR

Crystal structure of Glycosylated K135E PEB3

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Temperature [K]100
Detector technologyCCD
Collection date2007-08-20
DetectorMARRESEARCH
Wavelength(s)1.98
Spacegroup nameP 1 21 1
Unit cell lengths49.580, 101.962, 56.809
Unit cell angles90.00, 108.88, 90.00
Refinement procedure
Resolution20.000 - 2.000
R-factor0.21687
Rwork0.216
R-free0.23492
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2hxw
RMSD bond length0.006
RMSD bond angle1.099
Data reduction softwareHKL-2000
Data scaling softwareSCALEPACK
Phasing softwarePHASER
Refinement softwareREFMAC (5.4.0067)
Data quality characteristics
 Overall
Low resolution limit [Å]20.000
High resolution limit [Å]2.000
Number of reflections35349
<I/σ(I)>17.1
Completeness [%]98.0
Redundancy3.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP5.529418% [w/v] polyethylene glycol 3350, 0.2 M di-ammonium hydrogen citrate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K

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