4R57
Crystal structure of spermidine N-acetyltransferase from Vibrio cholerae in complex with acetyl-CoA
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 | 2013-11-06 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 3 |
| Unit cell lengths | 176.732, 176.732, 67.045 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 40.600 - 2.079 |
| R-factor | 0.17417 |
| Rwork | 0.171 |
| R-free | 0.23957 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3EG7 |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.755 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0069) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 40.600 | 2.120 |
| High resolution limit [Å] | 2.079 | 2.079 |
| Rmerge | 0.084 | 0.580 |
| Number of reflections | 140107 | |
| <I/σ(I)> | 38.1 | 2.8 |
| Completeness [%] | 99.4 | 95.2 |
| Redundancy | 5.4 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium Chloride, 20 % PEG 3350, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
