9QSP
Crystal structure of Zika Virus NS2B-NS3 protease in complex with Z2242050769
This is a non-PDB format compatible entry.
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 | PIXEL |
| Collection date | 2024-10-03 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 42.920, 42.920, 215.780 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 42.100 - 1.400 |
| R-factor | 0.1968 |
| Rwork | 0.196 |
| R-free | 0.21620 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.110 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 42.920 | 1.480 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Rmeas | 0.080 | 3.113 |
| Number of reflections | 41210 | 6533 |
| <I/σ(I)> | 17.49 | 1.08 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 11.16 | |
| CC(1/2) | 0.999 | 0.434 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293.15 | 24 % (w/v) PEG 2000, 0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate |
