6LO0
The co-crystal structure of Severe Acute Respiratory Syndrome Coronavirus 3C Like Protease with aldehyde M14
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU200 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 2019-01-04 |
| Detector | RIGAKU RAXIS IV++ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 108.669, 81.544, 53.382 |
| Unit cell angles | 90.00, 104.35, 90.00 |
Refinement procedure
| Resolution | 43.708 - 1.939 |
| R-factor | 0.2293 |
| Rwork | 0.227 |
| R-free | 0.26840 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1uj1 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.290 |
| High resolution limit [Å] | 1.939 | 2.250 |
| Rmerge | 0.106 | 0.673 |
| Number of reflections | 27855 | 1001 |
| <I/σ(I)> | 19.21 | |
| Completeness [%] | 99.5 | |
| Redundancy | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 289 | 6% PEG 8000, 100mM MES buffer |
