5Z1B
Structure of Bifidobacterium dentium beta-glucuronidase complexed with coumarin-3-O-glucuronide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE BL13B1 |
| Synchrotron site | NSRRC |
| Beamline | BL13B1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2016-10-11 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 1 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 91.340, 104.165, 160.673 |
| Unit cell angles | 90.00, 90.40, 90.00 |
Refinement procedure
| Resolution | 29.164 - 1.450 |
| R-factor | 0.1302 |
| Rwork | 0.130 |
| R-free | 0.16020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.395 |
| 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 | 1.500 |
| High resolution limit [Å] | 1.450 | 3.120 | 1.450 |
| Rmerge | 0.041 | 0.016 | 0.570 |
| Rmeas | 0.049 | 0.019 | 0.677 |
| Rpim | 0.025 | 0.010 | 0.360 |
| Number of reflections | 527681 | 53484 | 51597 |
| <I/σ(I)> | 13.8 | ||
| Completeness [%] | 99.5 | 99.6 | 97.8 |
| Redundancy | 3.6 | 3.7 | 3.2 |
| CC(1/2) | 0.999 | 0.745 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 100mM Sodium cacodylate, pH 6.5, 18%(w/v) PEG2000 MME |
