9QRC
SARS-CoV-2 nsp14 with 6-methyl-2-[(4-methylphenyl)methyl]pyridazin-3-one
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-04-13 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.8731 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.992, 68.431, 139.284 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.100 - 2.400 |
| R-factor | 0.1964 |
| Rwork | 0.194 |
| R-free | 0.23950 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.399 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21-5207-000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 67.990 | 2.490 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Number of reflections | 25959 | 2658 |
| <I/σ(I)> | 10.3 | 1.3 |
| Completeness [%] | 99.7 | 98.5 |
| Redundancy | 6.6 | 6.8 |
| CC(1/2) | 0.996 | 0.520 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291.15 | 1.26 M sodium phosphate monobasic, 0.14 M potassium phosphate dibasic |
