7KGY
Beta-glucuronidase from Faecalibacterium prausnitzii bound to the inhibitor UNC10201652-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 | 2019-07-26 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 114.520, 128.405, 177.264 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.320 - 2.200 |
| R-factor | 0.1475 |
| Rwork | 0.147 |
| R-free | 0.19290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6ed2 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.897 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.320 | 2.280 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.103 | 0.447 |
| Number of reflections | 132721 | 13115 |
| <I/σ(I)> | 12.66 | 3.78 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.6 | 5.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 15 mg/mL protein, 1800 uM 4-Nitrophenyl beta-D-glucuronide, 600 uM UNC10201652, 0.2 M potassium thiocyanate, 20%(w/v) PEG 3350 |
