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5I5U

X-RAY CRYSTAL STRUCTURE AT 2.40A RESOLUTION OF HUMAN MITOCHONDRIAL BRANCHED CHAIN AMINOTRANSFERASE (BCATM) COMPLEXED WITH A TETRAHYDRONAPHTHALENYL COMPOUND AND AN INTERNAL ALDIMINE LINKED PLP COFACTOR.

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU
Temperature [K]100
Detector technologyCCD
Collection date2010-09-04
DetectorRIGAKU SATURN A200
Wavelength(s)1.5418
Spacegroup nameP 21 21 21
Unit cell lengths69.074, 105.995, 107.462
Unit cell angles90.00, 90.00, 90.00
Refinement procedure
Resolution20.000 - 2.404
R-factor0.1705
Rwork0.167
R-free0.23350
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)In-house structure
RMSD bond length0.010
RMSD bond angle1.463
Data reduction softwareXDS
Data scaling softwareSCALA (3.3.16)
Phasing softwareREFMAC
Refinement softwareREFMAC (5.7.0032)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]107.462107.4622.530
High resolution limit [Å]2.4047.6002.404
Rmerge0.0880.0250.502
Number of reflections31398
<I/σ(I)>14.821.81.6
Completeness [%]99.997.7100
Redundancy5.24.45.2
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP6.5293MDL MORPHEUS SCREEN CONDITION B2, DTT

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