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2ONO

Arg475Gln Mutant of Mitochondrial Aldehyde Dehydrogenase, apo form, pseudo-merohedrally twinned

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 14-BM-C
Synchrotron siteAPS
Beamline14-BM-C
Temperature [K]100
Detector technologyCCD
Collection date2003-08-03
DetectorADSC QUANTUM 4
Spacegroup nameP 1 21 1
Unit cell lengths101.472, 175.850, 101.458
Unit cell angles90.00, 94.79, 90.00
Refinement procedure
Resolution10.000 - 2.150
R-factor0.251
R-free0.31400
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1o05
RMSD bond length0.005
RMSD bond angle0.013
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareAMoRE
Refinement softwareSHELXL-97
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]25.0002.230
High resolution limit [Å]2.1502.150
Rmerge0.0610.198
Number of reflections186854
<I/σ(I)>13.6
Completeness [%]97.587.8
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
16.6293100 mM ACES (N-[2-Acetamido]-2-aminoethane sufonic acid), 5 mM MgCl2, 100 mM Guanidine HCl, 18% w/v PEG 6000, 6 mM DTT, pH 6.6, vapor diffusion, temperature 293K, pH 6.60

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