6XPM
Crystal Structure of Sialate O-acetylesterase from Bacteroides vulgatus with microfluidics crystals at room temperature
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 295 |
| Detector technology | PIXEL |
| Collection date | 2016-11-04 |
| Detector | DECTRIS PILATUS3 X 6M |
| Wavelength(s) | 0.97922 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 102.627, 102.627, 102.834 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 33.590 - 2.300 |
| R-factor | 0.1505 |
| Rwork | 0.149 |
| R-free | 0.18430 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 6njc |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.543 |
| 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] | 50.000 | 2.340 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.158 | 0.966 |
| Number of reflections | 14414 | 620 |
| <I/σ(I)> | 29.3 | 1.1 |
| Completeness [%] | 97.8 | 84.9 |
| Redundancy | 22.4 | 3.3 |
| CC(1/2) | 0.983 | 0.461 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | MICROFLUIDIC | 4.5 | 295 | 0.2 M lithium sulfate, 0.1 M acetate, pH 4.5, 2.5 M sodium chloride |
