7PSJ
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor VL166
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04 |
| Synchrotron site | Diamond |
| Beamline | I04 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-01-18 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.979499 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 83.393, 44.117, 136.708 |
| Unit cell angles | 90.00, 97.58, 90.00 |
Refinement procedure
| Resolution | 75.112 - 1.550 |
| Rwork | 0.195 |
| R-free | 0.22270 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g0m |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.643 |
| Data reduction software | DIALS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.110 | 1.580 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Number of reflections | 71878 | 3595 |
| <I/σ(I)> | 7.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 3.9 | |
| CC(1/2) | 0.997 | 0.793 |
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 |
