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 |