8GET
R. hominis 2 beta-glucuronidase bound to norquetiapine-glucuronide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-D |
| Synchrotron site | APS |
| Beamline | 23-ID-D |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-12-12 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 100.466, 146.290, 281.432 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.050 - 2.900 |
| R-factor | 0.2251 |
| Rwork | 0.224 |
| R-free | 0.26900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.610 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | phenix.refine (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.050 | 3.004 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Rmerge | 0.067 | 0.585 |
| Rmeas | 0.095 | 0.827 |
| Rpim | 0.067 | 0.585 |
| Number of reflections | 82560 | 8379 |
| <I/σ(I)> | 8.69 | 1.27 |
| Completeness [%] | 89.0 | |
| Redundancy | 1.9 | |
| CC(1/2) | 0.995 | 0.627 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.17 M Ammonium Acetate, 0.085M Sodium Citrate:HCl, pH 5.6 and 25.5 % (w/v) PEG 4000, 15 % (v/v) glycerol |
