6NZG
Bacteroides uniformis beta-glucuronidase 2 covalently bound to cyclophellitol-6-carboxylate aziridine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-07-11 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 74.536, 142.407, 180.664 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.460 - 2.430 |
| R-factor | 0.172 |
| Rwork | 0.170 |
| R-free | 0.22100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uj6 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.001 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.460 | 2.520 |
| High resolution limit [Å] | 2.430 | 2.430 |
| Rmerge | 0.146 | 0.859 |
| Number of reflections | 73051 | |
| <I/σ(I)> | 15.9 | 2.8 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 13 | 13.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 18% PEG 3350, 0.2 M KCl, 120 uM activity-based probe, 100 uM Bu2GUS |
