9DFW
X-ray crystal structure of an engineered Viperin-like enzyme from T. virens with bound CTP and SAM
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS-II BEAMLINE 17-ID-2 |
| Synchrotron site | NSLS-II |
| Beamline | 17-ID-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-04-05 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 31 |
| Unit cell lengths | 85.131, 85.131, 110.471 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 19.860 - 1.677 |
| R-factor | 0.15675 |
| Rwork | 0.155 |
| R-free | 0.18793 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.575 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0258) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.323 | 1.705 |
| High resolution limit [Å] | 1.677 | 1.677 |
| Rmerge | 0.152 | 2.332 |
| Rmeas | 0.170 | 2.612 |
| Rpim | 0.076 | 1.167 |
| Number of reflections | 102720 | 5167 |
| <I/σ(I)> | 9 | 1 |
| Completeness [%] | 100.0 | |
| Redundancy | 9.8 | |
| CC(1/2) | 0.997 | 0.358 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 0.1 M HEPES (pH 7.0), 10% (w/v) PEG 6K |
