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2W6M

Crystal structure of Biotin carboxylase from E. coli in complex with amino-oxazole fragment series

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 17-ID
Synchrotron siteAPS
Beamline17-ID
Temperature [K]100
Detector technologyCCD
DetectorADSC CCD
Spacegroup nameP 21 21 21
Unit cell lengths84.242, 106.197, 122.277
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution80.060 - 2.000
R-factor0.185
Rwork0.183
R-free0.20800
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)2j9g
RMSD bond length0.007
RMSD bond angle0.995
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareMOLREP
Refinement softwareREFMAC (5.2.0005)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.070
High resolution limit [Å]2.0002.000
Rmerge0.0800.500
Number of reflections74778
<I/σ(I)>25.234.47
Completeness [%]99.999.7
Redundancy6.826.7
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1

225158

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