5SLG
PanDDA analysis group deposition -- Crystal Structure of SARS-CoV-2 NSP14 in complex with Z32400357
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 | 67.621, 68.321, 138.503 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 69.250 - 1.970 |
| R-factor | 0.2769 |
| Rwork | 0.274 |
| R-free | 0.32340 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 7qgi |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.541 |
| Data reduction software | XDS |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 138.510 | 138.510 | 2.020 |
| High resolution limit [Å] | 1.970 | 8.800 | 1.970 |
| Rmerge | 0.293 | 0.086 | 6.157 |
| Rmeas | 0.318 | 0.096 | 6.703 |
| Rpim | 0.123 | 0.041 | 2.632 |
| Total number of observations | 305616 | 3432 | 21362 |
| Number of reflections | 45789 | ||
| <I/σ(I)> | 4.2 | 24.2 | 0.2 |
| Completeness [%] | 98.8 | 99.9 | 98.8 |
| Redundancy | 6.7 | 5.6 | 6.4 |
| CC(1/2) | 0.974 | 0.924 | 0.154 |
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 |
