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 |