4MI4
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with spermine
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-G |
| Synchrotron site | APS |
| Beamline | 21-ID-G |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-11-17 |
| Detector | MARMOSAIC 300 mm CCD |
| Wavelength(s) | 0.987856 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 71.633, 135.898, 140.528 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 28.900 - 1.848 |
| R-factor | 0.15115 |
| Rwork | 0.149 |
| R-free | 0.18400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3EG7 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.931 |
| 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 | 1.880 |
| High resolution limit [Å] | 1.848 | 1.848 |
| Rmerge | 0.080 | 0.330 |
| Number of reflections | 59130 | |
| <I/σ(I)> | 38.8 | 6.6 |
| Completeness [%] | 99.6 | 99.8 |
| Redundancy | 5.2 | 5.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 293 | 0.1 M Tris HCl, 20% Ethanol, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
