5LAI
Ligand-induced aziridine-formation at the yeast proteasomal subunit beta5 by sulfonate esters
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2015-08-15 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 136.150, 300.750, 145.660 |
Unit cell angles | 90.00, 112.80, 90.00 |
Refinement procedure
Resolution | 15.000 - 2.500 |
R-factor | 0.20327 |
Rwork | 0.202 |
R-free | 0.21870 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5cz4 |
RMSD bond length | 0.005 |
RMSD bond angle | 0.991 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | REFMAC |
Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.072 | 0.651 |
Number of reflections | 361563 | |
<I/σ(I)> | 10.4 | 2.3 |
Completeness [%] | 97.4 | 97.9 |
Redundancy | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 20 mM MgAc2, 13% MPD |