9DSB
Crystal Structure of Spermin/spermidine N-Acetyltransferase from Enterococcus faecalis V583
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL9-2 |
| Synchrotron site | SSRL |
| Beamline | BL9-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-01 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97946 |
| Spacegroup name | P 3 |
| Unit cell lengths | 90.296, 90.296, 34.775 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.100 - 1.500 |
| R-factor | 0.16501 |
| Rwork | 0.163 |
| R-free | 0.20358 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.964 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 4.070 | 1.500 |
| Rmerge | 0.050 | 0.035 | 0.673 |
| Rmeas | 0.052 | 0.037 | 0.716 |
| Rpim | 0.016 | 0.011 | 0.240 |
| Total number of observations | 466493 | ||
| Number of reflections | 47864 | 2518 | 1758 |
| <I/σ(I)> | 5.9 | ||
| Completeness [%] | 94.6 | 99.5 | 70 |
| Redundancy | 9.7 | 10.8 | 8.2 |
| CC(1/2) | 0.996 | 0.999 | 0.885 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.5 | 289 | 0.1 M sodium acetate pH 4.5, 3 M sodium Chloride |
