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1G65

Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors

Experimental procedure
Experimental methodSINGLE WAVELENGTH
Source typeSYNCHROTRON
Source detailsMPG/DESY, HAMBURG BEAMLINE BW6
Synchrotron siteMPG/DESY, HAMBURG
BeamlineBW6
Temperature [K]90
Detector technologyIMAGE PLATE
Collection date1999-04-19
DetectorMARRESEARCH
Wavelength(s)1.1
Spacegroup nameP 1 21 1
Unit cell lengths135.200, 300.200, 144.020
Unit cell angles90.00, 112.98, 90.00
Refinement procedure
Resolution20.000 - 2.250
R-factor0.283

*

Rwork0.283
R-free0.33600
Structure solution methodMOLECULAR REPLACEMENT
Starting model (for MR)wt yeast 20S proteasome (1RYP)
RMSD bond length0.012

*

RMSD bond angle1.946

*

Data reduction softwareDENZO
Data scaling softwareSCALEPACK
Phasing softwareX-PLOR
Refinement softwareX-PLOR
Data quality characteristics
 OverallOuter shell
Low resolution limit [Å]20.0002.340
High resolution limit [Å]2.2502.250
Rmerge0.1130.395
Total number of observations1336712

*

Number of reflections427960
<I/σ(I)>8.3
Completeness [%]91.691.1
Redundancy2.61.4
Crystallization Conditions
crystal IDmethodpHtemperaturedetails
1VAPOR DIFFUSION, HANGING DROP7.5

*

24

*

0.1M Mes, pH 6.8 11% MPD 25mM MgAc2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K
Crystallization Reagents in Literatures
IDcrystal IDsolutionreagent nameconcentration (unit)details
11dropprotein40 (mg/ml)
21dropTris-HCl10 (mM)pH7.5
31dropEDTA1 (mM)
41reservoirmagnesium acetate30 (mM)
51reservoirMES100 (mM)pH6.9
61reservoirMPD11 (%)

217705

PDB entries from 2024-03-27

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