9IBY
Crystal structure of Zika Virus NS2B-NS3 protease in complex with compound 2
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-1 |
| Synchrotron site | ESRF |
| Beamline | ID23-1 |
| Temperature [K] | 293.15 |
| Detector technology | PIXEL |
| Collection date | 2025-01-24 |
| Detector | DECTRIS EIGER2 X 9M |
| Wavelength(s) | 0.88560 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 61.793, 57.472, 72.447 |
| Unit cell angles | 90.00, 96.41, 90.00 |
Refinement procedure
| Resolution | 44.956 - 2.291 |
| Rwork | 0.189 |
| R-free | 0.23570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.282 |
| Data reduction software | autoPROC |
| Data scaling software | XSCALE |
| Phasing software | PHENIX |
| Refinement software | REFMAC (5.8.0430) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 44.961 | 2.581 |
| High resolution limit [Å] | 2.291 | 2.291 |
| Rmerge | 0.141 | 1.530 |
| Number of reflections | 14363 | 718 |
| <I/σ(I)> | 6.8 | |
| Completeness [%] | 89.6 | |
| Redundancy | 6.6 | |
| CC(1/2) | 0.995 | 0.508 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 293.15 | 12.00 %w/v PEG 8K 20.00 %v/v Glycerol 0.16 M Mg Acet 0.08 M Na Cacod |
