4QLQ
yCP in complex with tripeptidic epoxyketone inhibitor 8
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 | 2013-10-26 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 136.650, 299.590, 144.820 |
| Unit cell angles | 90.00, 112.85, 90.00 |
Refinement procedure
| Resolution | 15.000 - 2.400 |
| R-factor | 0.19946 |
| Rwork | 0.199 |
| R-free | 0.21482 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1ryp |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.119 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | REFMAC |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 20.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.052 | 0.443 |
| Number of reflections | 409646 | |
| <I/σ(I)> | 13.6 | 2.8 |
| Completeness [%] | 98.3 | 99.1 |
| Redundancy | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 293 | 20mM MgAc2, 100mM MES, 13% MPD, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
