9HH6
Crystal Structure of Nsp15 Endoribonuclease from SARS CoV-2 in Complex with TAS-103
This is a non-PDB format compatible entry.
Refinement Statistics
Experimental method: SOLUTION SCATTERING, X-RAY DIFFRACTION (2 Å)
| Cell axes | 150.488 | 150.488 | 110.086 |
| Cell angles | 90.00 | 90.00 | 120.00 |
| Spacegroup | P 63 | ||
| Resolution limits | 49.26 - 2.00 | ||
Crystallization Conditions
| crystal ID | method | pH | pH range | temperature | unit |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 |
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, DESY BEAMLINE P11 |
| Synchrotron site | PETRA III, DESY |
| Beamline | P11 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-06-13 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 1.033 |
| Spacegroup name | P 63 |
| Unit cell lengths | 150.488, 150.488, 110.086 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.260 - 2.000 |
| R-factor | 0.16239 |
| Rwork | 0.162 |
| R-free | 0.17693 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.167 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.260 | 2.030 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.098 | 0.868 |
| Number of reflections | 95339 | 4754 |
| <I/σ(I)> | 7.7 | |
| Completeness [%] | 99.9 | |
| Redundancy | 4.7 | |
| CC(1/2) | 0.989 | 0.625 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 0.1 mM sodium phosphate pH 6.5 10 % w/v Peg 8000 0.3 M NaCl |
