8OGX
Beta-glucuronidase from Acidobacterium capsulatum in complex with inhibitor R3794
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 | 2022-04-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.97 |
Spacegroup name | I 1 2 1 |
Unit cell lengths | 82.999, 44.658, 137.023 |
Unit cell angles | 90.00, 97.46, 90.00 |
Refinement procedure
Resolution | 41.150 - 2.000 |
R-factor | 0.19665 |
Rwork | 0.194 |
R-free | 0.24406 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.616 |
Data reduction software | DIALS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.150 | 2.050 |
High resolution limit [Å] | 2.000 | 2.000 |
Number of reflections | 33997 | 2482 |
<I/σ(I)> | 25.1 | |
Completeness [%] | 99.8 | 100 |
Redundancy | 6.4 | |
CC(1/2) | 0.990 | 0.990 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 1.1 M LiSO4, 0.5 M AmSO4, 0.1 M Trissodium citrate |