4R87
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with CoA and spermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2013-11-26 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 3 |
| Unit cell lengths | 176.948, 176.948, 67.009 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 43.820 - 2.610 |
| R-factor | 0.1875 |
| Rwork | 0.185 |
| R-free | 0.23830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3EG7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.912 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0032) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.640 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.170 | 0.620 |
| Number of reflections | 68437 | |
| <I/σ(I)> | 15.04 | 2.9 |
| Completeness [%] | 96.2 | 100 |
| Redundancy | 4.7 | 5.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium citrate, 20% PEG3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
