4QZ4
yCP beta5-A49S mutant in complex with the epoxyketone inhibitor ONX 0914
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 | 2012-10-20 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 134.970, 298.960, 145.340 |
| Unit cell angles | 90.00, 112.78, 90.00 |
Refinement procedure
| Resolution | 15.000 - 3.000 |
| R-factor | 0.18429 |
| Rwork | 0.183 |
| R-free | 0.21843 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.917 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 3.100 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.082 | 0.446 |
| Number of reflections | 202933 | |
| <I/σ(I)> | 12 | 3.4 |
| Completeness [%] | 95.9 | 99.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 20 MM MGAC2, 13% MPD, PH 6.8, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K |
