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3D2R

Crystal structure of pyruvate dehydrogenase kinase isoform 4 in complex with ADP

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeROTATING ANODE
Source detailsRIGAKU FR-E+ SUPERBRIGHT
Temperature [K]100
Detector technologyIMAGE PLATE
Collection date2008-03-28
DetectorRIGAKU RAXIS IV
Wavelength(s)1.5418
Spacegroup nameP 1 21 1
Unit cell lengths70.595, 69.374, 82.328
Unit cell angles90.00, 99.26, 90.00
Refinement procedure
Resolution50.000 - 2.030
R-factor0.18536
Rwork0.183
R-free0.23016
Structure solution methodFOURIER SYNTHESIS
Starting model (for MR)2zkj
RMSD bond length0.020
RMSD bond angle1.817
Data reduction softwareHKL-2000
Data scaling softwareHKL-2000
Phasing softwareREFMAC
Refinement softwareREFMAC (5.4.0069)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]50.0002.070
High resolution limit [Å]2.0302.030
Rmerge0.0380.255
Number of reflections50510
<I/σ(I)>304.7
Completeness [%]99.599.4
Redundancy3.63.3
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.52931.9M ammonium sulfate, 4% polyethylene glycol 400, 100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 293K

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