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 |