5WX1
The closed-conformation crystal structure of the full-length pestivirus NS3 with its NS4A protease cofactor segment
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRF BEAMLINE BL17U1 |
Synchrotron site | SSRF |
Beamline | BL17U1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-01-02 |
Detector | ADSC QUANTUM 315r |
Wavelength(s) | 0.9792 |
Spacegroup name | P 42 21 2 |
Unit cell lengths | 111.084, 111.084, 139.032 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 49.678 - 2.350 |
R-factor | 0.1983 |
Rwork | 0.196 |
R-free | 0.24980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4cbg 1cu1 |
RMSD bond length | 0.008 |
RMSD bond angle | 1.010 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.10_2155: ???)) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 60.000 | 60.000 | 2.430 |
High resolution limit [Å] | 2.350 | 5.060 | 2.350 |
Rmerge | 0.088 | 0.047 | 0.516 |
Rmeas | 0.096 | 0.052 | 0.563 |
Rpim | 0.038 | 0.021 | 0.222 |
Total number of observations | 219021 | ||
Number of reflections | 35913 | 3723 | 3576 |
<I/σ(I)> | 11.4 | ||
Completeness [%] | 97.1 | 93.8 | 98.5 |
Redundancy | 6.1 | 5.9 | 6.1 |
CC(1/2) | 0.996 | 0.859 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | EVAPORATION | 7 | 289 | malic acid |