6JZ6
b-glucuronidase from Ruminococcus gnavus in complex with C6-substituted uronic isofagomine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13C1 |
| Synchrotron site | NSRRC |
| Beamline | BL13C1 |
| Temperature [K] | 277 |
| Detector technology | CCD |
| Collection date | 2018-10-17 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.945, 102.533, 111.961 |
| Unit cell angles | 90.00, 130.91, 90.00 |
Refinement procedure
| Resolution | 29.001 - 1.605 |
| R-factor | 0.1523 |
| Rwork | 0.152 |
| R-free | 0.17750 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5z18 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.119 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 30.000 | 30.000 | 1.660 |
| High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
| Rmerge | 0.068 | 0.024 | 0.796 |
| Rmeas | 0.076 | 0.027 | 0.894 |
| Rpim | 0.033 | 0.012 | 0.401 |
| Total number of observations | 908745 | ||
| Number of reflections | 174580 | 18055 | 17110 |
| <I/σ(I)> | 10.3 | ||
| Completeness [%] | 97.2 | 99.2 | 95.5 |
| Redundancy | 5.2 | 5.3 | 4.9 |
| CC(1/2) | 0.999 | 0.724 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 70% MPD, 0.1 M HEPES, pH 7.5, 0.2 M CaCl2 |
