9IRO
Crystal structure of SeUGI and SAUDG
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSRRC BEAMLINE TPS 05A |
| Synchrotron site | NSRRC |
| Beamline | TPS 05A |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-10-29 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 60.895, 75.860, 77.056 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.710 - 2.180 |
| R-factor | 0.1938 |
| Rwork | 0.192 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3wdg |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.486 |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.19.2_4158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.260 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmerge | 0.042 | 0.227 |
| Number of reflections | 19056 | 1848 |
| <I/σ(I)> | 30.1 | 6.9 |
| Completeness [%] | 98.7 | |
| Redundancy | 5.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 298.15 | 1.5 M ammonium sulfate, 0.1 M Tris, pH 8.0 |
