6D72
Crystal structure of spermidine/spermine N-acetyltransferase SpeG from Yersinia pestis in complex with calcium 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 | 2017-04-11 |
| Detector | RAYONIX MX300-HS |
| Wavelength(s) | 0.97872 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 101.761, 120.804, 123.330 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.170 |
| R-factor | 0.1835 |
| Rwork | 0.182 |
| R-free | 0.21235 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5wif |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.642 |
| 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 | 2.210 |
| High resolution limit [Å] | 2.170 | 2.170 |
| Rmerge | 0.063 | 0.800 |
| Number of reflections | 40132 | 2006 |
| <I/σ(I)> | 23.3 | 2.03 |
| Completeness [%] | 99.1 | 100 |
| Redundancy | 5.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8 | 293 | 0.1 M Imidazole, 14% (w/v) PEG10000 |
