8R7B
SARS-CoV-2 NSP14 in complex with SAH and TDI-015051
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-26 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 67.448, 101.071, 90.472 |
| Unit cell angles | 90.00, 108.43, 90.00 |
Refinement procedure
| Resolution | 65.510 - 2.180 |
| R-factor | 0.19158 |
| Rwork | 0.190 |
| R-free | 0.24433 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.497 |
| Data reduction software | autoPROC |
| Data scaling software | autoPROC |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 65.510 | 2.410 |
| High resolution limit [Å] | 2.180 | 2.180 |
| Rmeas | 0.063 | 0.998 |
| Rpim | 0.030 | 0.493 |
| Number of reflections | 41664 | 2083 |
| <I/σ(I)> | 12.4 | 1.5 |
| Completeness [%] | 0.7 | |
| Redundancy | 4.4 | |
| CC(1/2) | 0.998 | 0.576 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 277 | 11% (v/v) isopropanol and 0.1 M imidazole, pH 7.0 with SAH and TDI-014988 |
