4QWX
yCP 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 | 2013-09-07 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 135.600, 300.050, 145.620 |
| Unit cell angles | 90.00, 112.77, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.900 |
| R-factor | 0.17366 |
| Rwork | 0.172 |
| R-free | 0.21169 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.892 |
| 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 | 3.000 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.087 | 0.539 |
| Number of reflections | 226546 | |
| <I/σ(I)> | 9.8 | 2.1 |
| Completeness [%] | 95.8 | 97.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 20 MM MGAC2, 13% MPD, VAPOR DIFFUSION, HANGING DROP, TEMPERATURE 293K, pH 6.8 |
