8IU7
Structure of Staphylococcus aureus NrnA (Pde2) in complex with Mg2+
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 80 |
| Detector technology | CCD |
| Collection date | 2022-08-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9790 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.910, 119.670, 119.570 |
| Unit cell angles | 90.00, 91.37, 90.00 |
Refinement procedure
| Resolution | 38.320 - 1.860 |
| R-factor | 0.2286 |
| Rwork | 0.227 |
| R-free | 0.25420 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.119 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 59.830 | 1.910 |
| High resolution limit [Å] | 1.860 | 1.860 |
| Rmerge | 0.062 | 1.800 |
| Number of reflections | 117351 | 8686 |
| <I/σ(I)> | 13.5 | |
| Completeness [%] | 97.1 | |
| Redundancy | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 289 | 10% PEG 3350, 0.1M magnesium formate, Tris-HCl (pH 7.5) |
