7KAG
Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-09-24 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97918 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 81.830, 147.570, 70.137 |
| Unit cell angles | 90.00, 125.90, 90.00 |
Refinement procedure
| Resolution | 35.780 - 3.210 |
| R-factor | 0.2175 |
| Rwork | 0.214 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gri |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.512 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15_3448) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 3.180 |
| High resolution limit [Å] | 3.130 | 3.130 |
| Rmerge | 0.053 | 0.933 |
| Rpim | 0.035 | 0.608 |
| Number of reflections | 10868 | 459 |
| <I/σ(I)> | 17.53 | 1.04 |
| Completeness [%] | 96.0 | 83.5 |
| Redundancy | 3.3 | 2.8 |
| CC(1/2) | 0.990 | 0.612 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 1.6 M ammonium sulfate, 0.1 M Hepes pH 7.5, 2% hexanediol |
