9S30
GnaT, N-acetyltransferase.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SOLEIL BEAMLINE PROXIMA 2 |
| Synchrotron site | SOLEIL |
| Beamline | PROXIMA 2 |
| Temperature [K] | 90 |
| Detector technology | PIXEL |
| Collection date | 2024-11-28 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.943204 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 76.094, 126.811, 74.464 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.280 - 2.650 |
| R-factor | 0.2099 |
| Rwork | 0.207 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.534 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | PHENIX (2.0rc1_5599) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.280 | 2.770 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.150 | 1.457 |
| Rmeas | 0.166 | 1.612 |
| Rpim | 0.069 | 0.684 |
| Number of reflections | 20238 | 2530 |
| <I/σ(I)> | 6.36 | 0.6 |
| Completeness [%] | 99.4 | 95.71 |
| Redundancy | 5.5 | 5.4 |
| CC(1/2) | 0.991 | 0.687 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | MIDAS C5: 5 % v/v pentaerythritol ethoxylate (3/4 EO/OH) 0.2 M Magnesium chloride |
