8DRX
Product structure of SARS-CoV-2 Mpro C145A mutant in complex with nsp10-nsp11 (C10) cut site sequence (form 2)
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | CLSI BEAMLINE 08B1-1 |
| Synchrotron site | CLSI |
| Beamline | 08B1-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-08-15 |
| Detector | DECTRIS PILATUS3 S 6M |
| Wavelength(s) | 1.18 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 49.670, 107.430, 53.420 |
| Unit cell angles | 90.00, 103.84, 90.00 |
Refinement procedure
| Resolution | 44.000 - 1.500 |
| R-factor | 0.1633 |
| Rwork | 0.163 |
| R-free | 0.19160 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7joy |
| Data scaling software | Aimless (0.7.7) |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 44.000 | 44.000 | 1.530 |
| High resolution limit [Å] | 1.500 | 8.220 | 1.500 |
| Rmerge | 0.052 | 0.030 | 1.287 |
| Total number of observations | 569736 | 3363 | 28342 |
| Number of reflections | 82392 | 535 | 3927 |
| <I/σ(I)> | 17.7 | 50.7 | 1.5 |
| Completeness [%] | 95.1 | 98 | 92 |
| Redundancy | 6.9 | 6.3 | 7.2 |
| CC(1/2) | 0.999 | 1.000 | 0.549 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1M tri-Na Citrate (pH 5.6), 35% t-Butanol |
