7IAT
Crystal structure of Zika NS2B-NS3 protease in complex with fragment EOS102811 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 | 60.540, 60.540, 214.730 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 41.980 - 1.530 |
| R-factor | 0.1852 |
| Rwork | 0.184 |
| R-free | 0.20470 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.842 |
| 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] | 41.980 | 1.620 | |
| High resolution limit [Å] | 1.530 | 4.570 | 1.530 |
| Rmerge | 0.058 | 0.023 | 1.300 |
| Rmeas | 0.061 | 0.024 | 1.360 |
| Total number of observations | 699066 | ||
| Number of reflections | 61473 | 2586 | 9724 |
| <I/σ(I)> | 22.07 | 82.73 | 1.74 |
| Completeness [%] | 100.0 | ||
| CC(1/2) | 1.000 | 1.000 | 0.742 |
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 |
