9DEE
The designed serine hydrolase known as super
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.92010 |
| Spacegroup name | H 3 |
| Unit cell lengths | 68.418, 68.418, 76.438 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 32.120 - 1.210 |
| R-factor | 0.2108 |
| Rwork | 0.209 |
| R-free | 0.24360 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5uj6 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.818 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.21_5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 32.120 | 1.280 |
| High resolution limit [Å] | 1.210 | 1.210 |
| Rmerge | 0.048 | 1.347 |
| Rpim | 0.022 | 0.639 |
| Number of reflections | 40645 | 5957 |
| <I/σ(I)> | 12.6 | 1.1 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 6.4 | 6.4 |
| CC(1/2) | 0.999 | 0.471 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.4 | 293 | 0.2 M Potassium fluoride, 20% (w/v) PEG 3350 |
