8BGA
Structure of Mpro in complex with FGA146
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID30B |
| Synchrotron site | ESRF |
| Beamline | ID30B |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2022-02-22 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.543, 98.711, 58.981 |
| Unit cell angles | 90.00, 107.24, 90.00 |
Refinement procedure
| Resolution | 48.973 - 1.982 |
| Rwork | 0.193 |
| R-free | 0.23720 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7k3t |
| RMSD bond length | 0.020 |
| RMSD bond angle | 1.940 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.973 | 2.100 |
| High resolution limit [Å] | 1.980 | 1.980 |
| Number of reflections | 40887 | 6215 |
| <I/σ(I)> | 9.13 | 1.04 |
| Completeness [%] | 98.7 | 92.8 |
| Redundancy | 6.61 | |
| CC(1/2) | 0.997 | 0.419 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 295 | 0.1 M Bis-TRIS at pH 6.5 containing 18% PEG 3350 |
