5C71
The structure of Aspergillus oryzae a-glucuronidase complexed with glycyrrhetinic acid monoglucuronide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2015-01-24 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 1 |
| Unit cell lengths | 96.068, 96.231, 96.192 |
| Unit cell angles | 88.27, 74.36, 71.13 |
Refinement procedure
| Resolution | 46.226 - 2.620 |
| R-factor | 0.1899 |
| Rwork | 0.187 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5c70 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.747 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.660 |
| High resolution limit [Å] | 2.610 | 7.080 | 2.610 |
| Rmerge | 0.059 | 0.031 | 0.157 |
| Total number of observations | 362238 | ||
| Number of reflections | 92474 | ||
| <I/σ(I)> | 13 | ||
| Completeness [%] | 98.2 | 98.3 | 93.4 |
| Redundancy | 3.9 | 3.8 | 3.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7 | 289 | 1M Succinic acid |
