8Y9V
ZIKV NS2B/NS3 protease
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17UM |
| Synchrotron site | SSRF |
| Beamline | BL17UM |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2023-12-17 |
| Detector | DECTRIS EIGER2 X 16M |
| Wavelength(s) | 0.924 |
| Spacegroup name | P 43 21 2 |
| Unit cell lengths | 59.753, 59.753, 213.594 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.770 - 1.900 |
| R-factor | 0.219 |
| Rwork | 0.217 |
| R-free | 0.24770 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.062 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHENIX |
| Refinement software | PHENIX ((1.20.1_4487: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.770 | 1.940 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.527 | 6.765 |
| Rmeas | 0.539 | 6.933 |
| Rpim | 0.108 | 1.456 |
| Total number of observations | 787827 | 42472 |
| Number of reflections | 31750 | 1929 |
| <I/σ(I)> | 7.3 | 0.8 |
| Completeness [%] | 99.7 | |
| Redundancy | 24.8 | 22 |
| CC(1/2) | 0.994 | 0.057 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 300 | PEG 20% 2000, ammonium sulfate 0.2 M, sodium acetate trihydrate 0.1 M |
