7IAQ
Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS102809 from ECBL-96
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 | 2024-06-27 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9184 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 60.560, 60.560, 215.500 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.300 - 1.830 |
| R-factor | 0.1917 |
| Rwork | 0.191 |
| R-free | 0.21320 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.153 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 46.300 | 1.940 | |
| High resolution limit [Å] | 1.830 | 5.460 | 1.830 |
| Rmerge | 0.111 | 0.035 | 1.634 |
| Rmeas | 0.116 | 0.037 | 1.712 |
| Total number of observations | 405996 | ||
| Number of reflections | 36434 | 1568 | 5717 |
| <I/σ(I)> | 14.29 | 50.01 | 1.44 |
| Completeness [%] | 99.9 | ||
| CC(1/2) | 0.999 | 0.999 | 0.617 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 293 | 0.1 M sodium acetate pH 4.6, 0.2 M ammonium sulfate, 24 % (w/v) PEG 2000 |
