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5BWV

X-RAY CRYSTAL STRUCTURE AT 1.86A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A PYRAZOLOPYRIMIDINONE COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyCCD
Collection date2011-03-15
DetectorRIGAKU SATURN A200
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths69.570, 105.936, 108.030
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 1.860
R-factor0.1616
Rwork0.160
R-free0.21110
Structure solution methodFOURIER SYNTHESIS
RMSD bond length0.009
RMSD bond angle1.356
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]40.00040.0001.890
High resolution limit [Å]1.8605.0501.860
Rmerge0.0840.0420.581
Total number of observations262587
Number of reflections64028
<I/σ(I)>10.6
Completeness [%]94.496.992.5
Redundancy4.14.33.9
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5293MDL Morpheus screen condition B2 + 10mM DTT.

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