5G0Q
beta-glucuronidase with an activity-based probe (N-alkyl cyclophellitol aziridine) bound
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2014-10-02 |
| Detector | DECTRIS PILATUS |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 148.512, 44.896, 82.216 |
| Unit cell angles | 90.00, 114.78, 90.00 |
Refinement procedure
| Resolution | 74.640 - 1.650 |
| R-factor | 0.12289 |
| Rwork | 0.120 |
| R-free | 0.16922 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3vo0 |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.859 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0135) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.600 | 1.680 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmerge | 0.050 | 0.590 |
| Number of reflections | 59263 | |
| <I/σ(I)> | 12.1 | 2.2 |
| Completeness [%] | 99.5 | 99.5 |
| Redundancy | 4 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8.6 | 8.6 |
