6CX8
Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Vibrio cholerae in complex with manganese ions.
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 | 2016-03-21 |
| Detector | RAYONIX MX-300 |
| Wavelength(s) | 0.97872 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 157.645, 135.267, 73.675 |
| Unit cell angles | 90.00, 118.58, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.410 |
| R-factor | 0.17346 |
| Rwork | 0.171 |
| R-free | 0.21319 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4ncz |
| RMSD bond length | 0.020 |
| RMSD bond angle | 2.158 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0158) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.440 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.063 | 0.520 |
| Number of reflections | 49284 | 2519 |
| <I/σ(I)> | 26.7 | 2.4 |
| Completeness [%] | 94.3 | 97.7 |
| Redundancy | 3.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.2 M Trimethylamine N-oxide, 0.1 M Tris, 20% w/v PEG2000 MME |
