8B0E
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB158
This is a non-PDB format compatible entry.
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 | 2021-07-04 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.97624 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 83.829, 44.476, 137.577 |
| Unit cell angles | 90.00, 97.63, 90.00 |
Refinement procedure
| Resolution | 39.210 - 1.550 |
| Rwork | 0.220 |
| R-free | 0.25190 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g0m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.584 |
| Data reduction software | DIALS |
| Data scaling software | DIALS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.210 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 70791 | 3423 |
| <I/σ(I)> | 2.9 | |
| Completeness [%] | 96.8 | |
| Redundancy | 5.8 | |
| CC(1/2) | 0.966 | 0.616 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.5 M AmSO4 1 M LiSO4 0.1 M Trisodium Citrate |
