8RYZ
Structures of selenoneine synthase SenA from Variovorax paradoxus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2023-07-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.978530 |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 118.002, 118.002, 72.803 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 41.820 - 2.020 |
| R-factor | 0.1818 |
| Rwork | 0.180 |
| R-free | 0.21690 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.850 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 41.820 | 2.050 |
| High resolution limit [Å] | 1.860 | 2.020 |
| Rmerge | 0.110 | 0.110 |
| Number of reflections | 74276 | 38568 |
| <I/σ(I)> | 18.3 | |
| Completeness [%] | 99.9 | |
| Redundancy | 18.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.64 M potassium sodium tartrate, 0.08 M CHES sodium pH 9.5, 1.6 M lithium sulfate monohydrate, 0.5 M NaCl and 10% (w/v) PEG 6000 |
