6HR5
Structure of the S1_25 family sulfatase module of the rhamnosidase FA22250 from Formosa agariphila
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-06-22 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.98011 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.879, 48.871, 92.651 |
| Unit cell angles | 90.00, 105.64, 90.00 |
Refinement procedure
| Resolution | 44.609 - 2.912 |
| R-factor | 0.3237 |
| Rwork | 0.322 |
| R-free | 0.36080 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.005 |
| Data reduction software | XDS (January 26, 2018) |
| Data scaling software | Aimless (7.0.063) |
| Phasing software | MOLREP (7.0.063) |
| Refinement software | PHENIX (1.13-2998) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.870 | 3.090 |
| High resolution limit [Å] | 2.910 | 2.910 |
| Rmerge | 0.256 | 1.163 |
| Rmeas | 0.277 | 1.257 |
| Rpim | 0.105 | 0.471 |
| Number of reflections | 10211 | 1605 |
| <I/σ(I)> | 7 | 2.2 |
| Completeness [%] | 99.6 | 97.9 |
| Redundancy | 6.9 | 6.9 |
| CC(1/2) | 0.982 | 0.801 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | 25% PEG 2000MME 0.1M MES pH6.5 |
