7PSI
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor ME727
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2019-12-15 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.911880 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 82.656, 44.469, 136.714 |
| Unit cell angles | 90.00, 97.61, 90.00 |
Refinement procedure
| Resolution | 74.600 - 1.250 |
| Rwork | 0.169 |
| R-free | 0.18410 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5g0m |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.803 |
| 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] | 74.620 | 1.270 |
| High resolution limit [Å] | 1.250 | 1.250 |
| Number of reflections | 133814 | 6083 |
| <I/σ(I)> | 6.6 | |
| Completeness [%] | 98.4 | |
| Redundancy | 3.7 | |
| CC(1/2) | 0.993 | 0.680 |
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 |
