3OKJ
Alpha-keto-aldehyde binding mechanism reveals a novel lead structure motif for proteasome inhibition
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06DA |
| Synchrotron site | SLS |
| Beamline | X06DA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2010-05-24 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 134.590, 299.830, 143.600 |
| Unit cell angles | 90.00, 112.60, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.700 |
| R-factor | 0.232 |
| Rwork | 0.232 |
| R-free | 0.25900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryp |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | CNS |
| Refinement software | CNS |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.000 | 2.800 |
| High resolution limit [Å] | 2.700 | 2.700 |
| Rmerge | 0.069 | 0.599 |
| Number of reflections | 285432 | |
| <I/σ(I)> | 14.7 | 2.61 |
| Completeness [%] | 99.5 | 99.7 |
| Redundancy | 2.5 | 2.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.9 | 293 | Crystalls appeared during one week using 100mM MES, 20mM MG2Ac, 12% MPD, pH 6.9, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
