8B0D
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VB151
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 | 2021-04-25 |
| Detector | DECTRIS EIGER2 XE 16M |
| Wavelength(s) | 0.976 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 82.461, 43.605, 136.202 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 74.924 - 1.620 |
| Rwork | 0.198 |
| R-free | 0.22590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g0m |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.567 |
| 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] | 74.924 | 1.650 |
| High resolution limit [Å] | 1.620 | 1.620 |
| Number of reflections | 61021 | 2988 |
| <I/σ(I)> | 10.1 | 1.1 |
| Completeness [%] | 99.7 | |
| Redundancy | 6 | |
| CC(1/2) | 0.990 | 0.516 |
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 |
