9KOQ
Crystal structure of an Arylsulfatase from Enterococcus faecium
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL18U1 |
| Synchrotron site | SSRF |
| Beamline | BL18U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-06-30 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97853 |
| Spacegroup name | P 4 21 2 |
| Unit cell lengths | 151.594, 151.594, 97.176 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.930 - 1.960 |
| R-factor | 0.1571 |
| Rwork | 0.157 |
| R-free | 0.17660 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.977 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 75.800 | 2.060 |
| High resolution limit [Å] | 1.960 | 1.960 |
| Rmerge | 0.169 | 1.527 |
| Number of reflections | 82013 | 11789 |
| <I/σ(I)> | 16.4 | 2.7 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 25.9 | 24.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 290 | 8%(w/v) PEG 3350, 200mM Manganese chloride, 100mM Sodium cacodylate pH6.4 |
