6UM3
Structure of Zika virus NS2b-NS3 protease mutant stabilizing the super-open conformation
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2019-05-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979460 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 51.742, 55.898, 61.675 |
Unit cell angles | 90.00, 112.91, 90.00 |
Refinement procedure
Resolution | 39.880 - 2.500 |
R-factor | 0.1909 |
Rwork | 0.188 |
R-free | 0.24910 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tfo |
RMSD bond length | 0.007 |
RMSD bond angle | 1.481 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 39.880 | 2.600 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.053 | 0.237 |
Rmeas | 0.064 | 0.290 |
Rpim | 0.034 | |
Number of reflections | 10922 | 1042 |
<I/σ(I)> | 12.7 | 2.9 |
Completeness [%] | 96.2 | 81.4 |
Redundancy | 3.4 | 2.9 |
CC(1/2) | 0.997 | 0.969 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | PEG4000, NaCl, Tris-Cl |