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2ONM

Human Mitochondrial Aldehyde Dehydrogenase Asian Variant, ALDH2*2, complexed with NAD+

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsALS BEAMLINE 4.2.2
Synchrotron siteALS
Beamline4.2.2
Temperature [K]100
Detector technologyCCD
Collection date2005-03-29
DetectorNOIR-1
Wavelength(s)1.072
Spacegroup nameP 1
Unit cell lengths96.201, 104.854, 162.359
Unit cell angles78.99, 82.14, 88.55
Refinement procedure
Resolution44.010 - 2.500
R-factor0.233
Rwork0.230
R-free0.27100
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1o05
RMSD bond length0.010
RMSD bond angle1.400
Data reduction softwareCrystalClear ((MSC/RIGAKU))
Data scaling softwared*TREK
Phasing softwareCNS
Refinement softwareCNS (1.1)
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]48.9502.590
High resolution limit [Å]2.5002.500
Rmerge0.0580.325
Total number of observations40530
Number of reflections208258
<I/σ(I)>9.12
Completeness [%]97.697
Redundancy1.951.95
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION6.8293100 mM ACES (N-[2-Acetamido]-2-aminoethane sulfonic acid), 10mM MgCl2, 100 mM Guanidine HCl, 15% w/v PEG 6000, 8mM DTT, pH 6.8, VAPOR DIFFUSION, temperature 293K

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