7TI9
Crystal structure of the ubiquitin-like domain 1 (Ubl1) of Nsp3 from SARS-CoV-2, form 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2022-01-07 |
| Detector | RIGAKU RAXIS IV |
| Wavelength(s) | 1.5418 |
| Spacegroup name | F 2 2 2 |
| Unit cell lengths | 84.270, 111.758, 145.989 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 27.910 - 2.730 |
| R-factor | 0.2233 |
| Rwork | 0.222 |
| R-free | 0.24860 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7kag |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.501 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20_4459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.780 |
| High resolution limit [Å] | 2.730 | 2.730 |
| Rmerge | 0.063 | 0.576 |
| Rpim | 0.024 | 0.270 |
| Number of reflections | 9250 | 356 |
| <I/σ(I)> | 29.2 | 1.36 |
| Completeness [%] | 98.0 | 80.9 |
| Redundancy | 7.7 | |
| CC(1/2) | 0.989 | 0.818 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 298 | 1.6 M ammonium sulfate, 2% hexanediol, 0.1M Hepes pH 7.5, 1.25% 1-Butyl-3-methylimidazolium dicyanamide |
