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3SDK

Structure of yeast 20S open-gate proteasome with Compound 34

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsAPS BEAMLINE 31-ID
Synchrotron siteAPS
Beamline31-ID
Detector technologyCCD
DetectorMAR CCD 165 mm
Spacegroup nameP 1 21 1
Unit cell lengths136.121, 299.404, 146.236
Unit cell angles90.00, 112.92, 90.00
Refinement procedure
Resolution50.000 - 2.700
R-factor0.2238
Rwork0.223
R-free0.25850
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)1g0u
RMSD bond length0.009
RMSD bond angle1.179
Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Refinement softwareREFMAC (5.5.0110)
Data quality characteristics
 OverallInner shellOuter shell
Low resolution limit [Å]50.00050.0002.800
High resolution limit [Å]2.7005.8102.700
Rmerge0.0830.0350.361
Number of reflections280182
<I/σ(I)>8.9
Completeness [%]95.399.571.6
Redundancy3.73.83
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7293100 mM MES, pH 7.0, 40 mM MgOAc, 15% 2-methyl-2,4-pentanediol (MPD), 10 mM EDTA, vapor diffusion, hanging drop, temperature 293K

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