9QS2
Crystal structure of Zika Virus NS2B-NS3 protease in complex with Z100582766
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 | 42.810, 42.810, 217.090 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.820 - 1.650 |
| R-factor | 0.1935 |
| Rwork | 0.192 |
| R-free | 0.22460 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.724 |
| 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] | 43.420 | 1.750 |
| High resolution limit [Å] | 1.650 | 1.650 |
| Rmeas | 0.085 | 1.447 |
| Number of reflections | 25505 | 3983 |
| <I/σ(I)> | 18.58 | 1.53 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 10.89 | 10.31 |
| CC(1/2) | 0.999 | 0.621 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293.15 | 26 % (w/v) PEG 2000, 0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate |
