5T1V
Crystal structure of Zika virus NS2B-NS3 protease in apo-form.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2016-06-21 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.97856 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 55.086, 55.086, 249.200 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.900 - 3.100 |
R-factor | 0.22862 |
Rwork | 0.223 |
R-free | 0.28755 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB-5LC0 |
RMSD bond length | 0.006 |
RMSD bond angle | 1.247 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 3.150 |
High resolution limit [Å] | 3.100 | 3.100 |
Rmerge | 0.115 | 0.732 |
Number of reflections | 7675 | |
<I/σ(I)> | 17.8 | 2.74 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.8 | 6.7 |
CC(1/2) | 0.925 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7 | 292 | Protein: 12.8mg/ml, 1M Sodium chloride, 0.05M Tris-HCl pH=8.5; Scrren: Classics II (H3), 0.24M Sodium malonate pH=7.0, 20% (w/v) PEG 3350 |