7IBI
PanDDA analysis group deposition -- SARS-CoV-2 Nsp1 in complex with fragment X7214 (well H02) from the KIT library
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-05-02 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 36.650, 36.650, 142.370 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 35.490 - 1.790 |
| R-factor | 0.208 |
| Rwork | 0.206 |
| R-free | 0.25419 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.417 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0267) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 35.490 | 1.900 | |
| High resolution limit [Å] | 1.790 | 5.320 | 1.790 |
| Rmerge | 0.079 | 0.021 | 2.311 |
| Rmeas | 0.083 | 0.022 | 2.416 |
| Total number of observations | 119990 | ||
| Number of reflections | 9866 | 451 | 1544 |
| <I/σ(I)> | 19.18 | 77.93 | 0.99 |
| Completeness [%] | 100.0 | ||
| CC(1/2) | 1.000 | 1.000 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 0.1 M HEPES pH 7.5 and 25% (w/v) PEG 3350. Reproducibility was improved by seeding. |
