3ZVB
3C protease of Enterovirus 68 complexed with Michael receptor inhibitor 81
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | MARMOSAIC 225 mm CCD |
| Spacegroup name | P 31 2 1 |
| Unit cell lengths | 56.320, 56.320, 170.341 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 56.780 - 2.650 |
| R-factor | 0.19334 |
| Rwork | 0.190 |
| R-free | 0.25610 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zv8 |
| RMSD bond length | 0.019 |
| RMSD bond angle | 1.947 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0110) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.770 | 2.790 |
| High resolution limit [Å] | 2.650 | 2.650 |
| Rmerge | 0.140 | 0.480 |
| Number of reflections | 9730 | |
| <I/σ(I)> | 18.7 | 6.8 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 17.7 | 18.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.6 | 0.07 M SODIUM ACETATE (PH 4.6), 15% PEG 4000, 30% GLYCEROL. SITTING DROP. |
