9BKQ
Structure of penguinpox cGAMP PDE in apo and post reaction states
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE VMXi |
| Synchrotron site | Diamond |
| Beamline | VMXi |
| Temperature [K] | 80 |
| Detector technology | PIXEL |
| Collection date | 2024-03-10 |
| Detector | DECTRIS EIGER2 X 4M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 64.848, 66.799, 196.911 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 63.260 - 2.100 |
| R-factor | 0.1916 |
| Rwork | 0.190 |
| R-free | 0.21720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.140 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 98.530 | 2.140 |
| High resolution limit [Å] | 2.100 | 2.100 |
| Rpim | 0.075 | 0.849 |
| Number of reflections | 51047 | 2492 |
| <I/σ(I)> | 8.886 | |
| Completeness [%] | 100.0 | |
| Redundancy | 13.25 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | 200 mM sodium formate 24% (w/v) PEG 3350 |
