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1HWJ

COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH CERIVASTATIN

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsCHESS BEAMLINE F1
Synchrotron siteCHESS
BeamlineF1
Temperature [K]123
Detector technologyCCD
Collection date2000-06-30
DetectorADSC QUANTUM 4
Wavelength(s)0.942
Spacegroup nameP 1 21 1
Unit cell lengths74.616, 172.983, 80.159
Unit cell angles90.00, 117.35, 90.00
Refinement procedure
Resolution43.500 - 2.260
R-factor0.221

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Rwork0.221
R-free0.23700
Structure solution methoddifference fourier
Starting model (for MR)1dqa
RMSD bond length0.010
RMSD bond angle1.400
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareCNS
Refinement softwareCNS
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]100.0002.290
High resolution limit [Å]2.2602.260
Rmerge0.0470.514
Number of reflections80912
<I/σ(I)>28.7
Completeness [%]96.078.2
Redundancy42.5
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1Batch method

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7.521

*

used microseeding

*

Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
111protein3-5 (mg/ml)
211PEG400012-15 (%(w/v))
311ammonium acetate0.15-0.2 (M)
411sodium HEPES25 (mM)
511dithiothreitol50 (mM)
611ADP10 (mM)
711glycerol10 (%)

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