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 |