8RS6
Crystal structure of Zika Virus NS2B-NS3 protease in complex with compound 1
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-08-28 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.999926421265 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.932, 91.897, 58.438 |
| Unit cell angles | 90.00, 97.97, 90.00 |
Refinement procedure
| Resolution | 57.870 - 2.300 |
| R-factor | 0.2268 |
| Rwork | 0.225 |
| R-free | 0.26990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.515 |
| Data reduction software | XDS |
| Data scaling software | pointless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 57.870 | 2.630 |
| High resolution limit [Å] | 2.300 | 2.300 |
| Rmerge | 0.144 | |
| Number of reflections | 59472 | 13850 |
| <I/σ(I)> | 8.2 | |
| Completeness [%] | 85.9 | |
| Redundancy | 4.3 | |
| CC(1/2) | 0.992 | 0.555 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 293.15 | 20.00 %w/v PEG 8K 20.00 %v/v Glycerol 0.16 M Mg Acet 0.08 M Na Cacod |
