9PQF
Xray crystal structure of Vientovirus FB Rep endonuclease domain 2-114 with Mg2+ ion
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-1 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2024-03-27 |
| Detector | DECTRIS EIGER X 9M |
| Wavelength(s) | 0.920100 |
| Spacegroup name | I 2 2 2 |
| Unit cell lengths | 50.944, 62.974, 64.705 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.130 - 1.800 |
| R-factor | 0.1836 |
| Rwork | 0.180 |
| R-free | 0.21790 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.900 |
| Data reduction software | DIALS (dev20231129) |
| Data scaling software | DIALS (dev20231129) |
| Phasing software | PHASER (2.8.3) |
| Refinement software | PHENIX (1.21-5207) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.130 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.194 | 0.433 |
| Rmeas | 0.209 | 0.466 |
| Rpim | 0.076 | 0.171 |
| Number of reflections | 9971 | 475 |
| <I/σ(I)> | 5.8 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 7.4 | 7.8 |
| CC(1/2) | 0.983 | 0.816 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.8 | 294.15 | 100 mM ammonium malonate pH 5.8, 200 mM potassium fluoride, 15% w/v PEG 4000, 15% v/v ethylene glycol |
