9XUU
Crystal structure of MPXV poxin in complex with c-di-GMP
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL10U2 |
| Synchrotron site | SSRF |
| Beamline | BL10U2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-09-15 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.290, 91.700, 93.660 |
| Unit cell angles | 90.00, 90.45, 90.00 |
Refinement procedure
| Resolution | 46.810 - 1.940 |
| R-factor | 0.1633 |
| Rwork | 0.161 |
| R-free | 0.20220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.896 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.21.1_5286: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.810 | 1.990 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.068 | 0.218 |
| Number of reflections | 66956 | 4567 |
| <I/σ(I)> | 17.5 | |
| Completeness [%] | 98.6 | |
| Redundancy | 5.7 | |
| CC(1/2) | 0.998 | 0.920 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M BICINE pH 8.5, 8% w/v Polyethylene glycol monomethyl ether 5,000 |
