1G65
Crystal structure of epoxomicin:20s proteasome reveals a molecular basis for selectivity of alpha,beta-epoxyketone proteasome inhibitors
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MPG/DESY, HAMBURG BEAMLINE BW6 |
Synchrotron site | MPG/DESY, HAMBURG |
Beamline | BW6 |
Temperature [K] | 90 |
Detector technology | IMAGE PLATE |
Collection date | 1999-04-19 |
Detector | MARRESEARCH |
Wavelength(s) | 1.1 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 135.200, 300.200, 144.020 |
Unit cell angles | 90.00, 112.98, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.250 |
R-factor | 0.283 * |
Rwork | 0.283 |
R-free | 0.33600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | wt yeast 20S proteasome (1RYP) |
RMSD bond length | 0.012 * |
RMSD bond angle | 1.946 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | X-PLOR |
Refinement software | X-PLOR |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.340 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.113 | 0.395 |
Total number of observations | 1336712 * | |
Number of reflections | 427960 | |
<I/σ(I)> | 8.3 | |
Completeness [%] | 91.6 | 91.1 |
Redundancy | 2.6 | 1.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 24 * | 0.1M Mes, pH 6.8 11% MPD 25mM MgAc2, VAPOR DIFFUSION, HANGING DROP, temperature 298.0K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 40 (mg/ml) | |
2 | 1 | drop | Tris-HCl | 10 (mM) | pH7.5 |
3 | 1 | drop | EDTA | 1 (mM) | |
4 | 1 | reservoir | magnesium acetate | 30 (mM) | |
5 | 1 | reservoir | MES | 100 (mM) | pH6.9 |
6 | 1 | reservoir | MPD | 11 (%) |