6NJC
Crystal Structure of the Sialate O-acetylesterase from Bacteroides vulgatus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-02-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97926 |
| Spacegroup name | P 65 |
| Unit cell lengths | 101.046, 101.046, 100.180 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.097 - 1.900 |
| R-factor | 0.1595 |
| Rwork | 0.158 |
| R-free | 0.18220 |
| Structure solution method | SAD |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.780 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.930 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.106 | 0.927 |
| Number of reflections | 45853 | 2264 |
| <I/σ(I)> | 32.8 | 3.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.7 | 7.2 |
| CC(1/2) | 0.993 | 0.827 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 0.2 M LiSO4, 0.1 M Acetate pH 4.5, 2.5 M sodium chloride |
