6XPG
Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus by Serial Crystallography
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I24 |
| Synchrotron site | Diamond |
| Beamline | I24 |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2018-10-17 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9686 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 102.533, 102.533, 103.042 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 45.900 - 1.900 |
| R-factor | 0.2076 |
| Rwork | 0.206 |
| R-free | 0.24230 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6njc |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.736 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX (1.17.1_3660) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.910 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 25754 | 1256 |
| <I/σ(I)> | 2.22 | 0.45 |
| Completeness [%] | 100.0 | 99.3 |
| Redundancy | 97.3 | 6.85 |
| CC(1/2) | 0.982 | 0.288 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | BATCH MODE | 4.5 | 295 | 0.2 M lithium sulfate, 0.1 M acetate, pH 4.5, 2.5 M sodium chloride |
