8OHX
Crystal structure of Beta-glucuronidase from Escherichia coli in complex with siastatin B derived inhibitor
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I02 |
| Synchrotron site | Diamond |
| Beamline | I02 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.979500 |
| Spacegroup name | I 1 2 1 |
| Unit cell lengths | 126.281, 76.711, 141.018 |
| Unit cell angles | 90.00, 102.01, 90.00 |
Refinement procedure
| Resolution | 61.835 - 1.950 |
| Rwork | 0.221 |
| R-free | 0.28470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.532 |
| 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] | 67.040 | 1.980 |
| High resolution limit [Å] | 1.950 | 1.950 |
| Number of reflections | 94487 | 4628 |
| <I/σ(I)> | 8.1 | |
| Completeness [%] | 98.4 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.997 | 0.717 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M Bis-Tris propane pH 7.5, 20% (w/v) PEG 3350, 0.2 M NaNO3 |
