4MJ8
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with polyamine
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 | 2011-11-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 74.999, 135.445, 141.188 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 29.770 - 2.040 |
| R-factor | 0.17141 |
| Rwork | 0.169 |
| R-free | 0.21087 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3EG7 |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.853 |
| 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] | 30.000 | 2.090 |
| High resolution limit [Å] | 2.040 | 2.040 |
| Rmerge | 0.062 | 0.270 |
| Number of reflections | 45842 | |
| <I/σ(I)> | 49.3 | 9 |
| Completeness [%] | 99.6 | 96.4 |
| Redundancy | 7.3 | 7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1M Tris HCl, 20% Ethanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
