6L70
Complex structure of PEDV 3CLpro with GC376
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-03 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 56.860, 92.220, 58.300 |
| Unit cell angles | 90.00, 100.09, 90.00 |
Refinement procedure
| Resolution | 39.804 - 1.560 |
| R-factor | 0.1749 |
| Rwork | 0.174 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4xfq |
| Data scaling software | Aimless |
| Refinement software | PHENIX (1.14_3260) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.200 | 1.590 |
| High resolution limit [Å] | 1.510 | 1.510 |
| Rmerge | 0.055 | 0.705 |
| Number of reflections | 90828 | 13354 |
| <I/σ(I)> | 17 | 2.5 |
| Completeness [%] | 98.6 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.2 | 293 | 0.1 M NaCl, 0.2 M Na2HPO4, citric acid (pH 4.2), 5% (w/v) PEG 3350 |
