7HPH
PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0015442-001
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I04-1 |
| Synchrotron site | Diamond |
| Beamline | I04-1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-11-22 |
| Detector | DECTRIS EIGER2 XE 9M |
| Wavelength(s) | 0.92124 |
| Spacegroup name | P 43 2 2 |
| Unit cell lengths | 42.647, 42.647, 216.930 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 54.230 - 2.337 |
| R-factor | 0.2308 |
| Rwork | 0.228 |
| R-free | 0.29220 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.000 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | BUSTER (2.10.4 (20-OCT-2021)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 54.232 | 2.609 |
| High resolution limit [Å] | 2.337 | 2.337 |
| Rmerge | 0.196 | 0.647 |
| Rmeas | 0.205 | 0.703 |
| Rpim | 0.056 | 0.269 |
| Total number of observations | 58751 | 1839 |
| Number of reflections | 5472 | 274 |
| <I/σ(I)> | 5.5 | 1.5 |
| Completeness [%] | 59.1 | |
| Redundancy | 10.7 | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4.8 | 298 | 30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8) |
