5SLZ
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z2072621991
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.91788 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.700, 67.760, 138.540 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 60.870 - 2.540 |
| R-factor | 0.2259 |
| Rwork | 0.222 |
| R-free | 0.29360 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7qgi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.940 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | BUSTER (2.10.4 (20-OCT-2021)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 67.700 | 67.700 | 2.610 |
| High resolution limit [Å] | 2.540 | 11.360 | 2.540 |
| Rmerge | 0.396 | 0.059 | 3.862 |
| Rmeas | 0.429 | 0.065 | 4.213 |
| Rpim | 0.165 | 0.028 | 1.664 |
| Total number of observations | 143401 | 1470 | 10100 |
| Number of reflections | 21749 | ||
| <I/σ(I)> | 4.6 | 18.6 | 0.5 |
| Completeness [%] | 99.9 | 99.6 | 100 |
| Redundancy | 6.6 | 4.9 | 6.3 |
| CC(1/2) | 0.985 | 0.997 | 0.254 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 278 | 1.26 M sodium phosphate monobasic, 0.14 M potassium phosphate dibasic |
