9QXD
SARS-CoV-2 nsp14 with 2-(1H-indol-3-yl)ethanol
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE MASSIF-1 |
| Synchrotron site | ESRF |
| Beamline | MASSIF-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-09-16 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9655 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.541, 67.838, 138.269 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 48.420 - 2.000 |
| R-factor | 0.2086 |
| Rwork | 0.207 |
| R-free | 0.24480 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.088 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.21-5207-000)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.420 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 42050 | 3137 |
| <I/σ(I)> | 8.5 | 1.5 |
| Completeness [%] | 96.6 | 98.4 |
| Redundancy | 3.7 | 3.6 |
| CC(1/2) | 0.996 | 0.737 |
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 |
