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 |