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 |