6JZ4
b-glucuronidase from Ruminococcus gnavus in complex with D-glucaro-d-lactam
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 | 2018-10-16 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 161.210, 101.896, 111.299 |
| Unit cell angles | 90.00, 130.90, 90.00 |
Refinement procedure
| Resolution | 28.501 - 1.712 |
| R-factor | 0.1683 |
| Rwork | 0.168 |
| R-free | 0.20280 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.077 |
| 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 | 1.770 |
| High resolution limit [Å] | 1.710 | 3.680 | 1.710 |
| Rmerge | 0.062 | 0.026 | 0.690 |
| Rmeas | 0.070 | 0.029 | 0.795 |
| Rpim | 0.032 | 0.012 | 0.387 |
| Total number of observations | 696402 | ||
| Number of reflections | 178565 | 14659 | 14165 |
| <I/σ(I)> | 13.9 | ||
| Completeness [%] | 99.0 | 99.3 | 97.9 |
| Redundancy | 4.8 | 5.1 | 4.2 |
| CC(1/2) | 0.999 | 0.775 |
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 |
