6LD3
Zika NS5 polymerase domain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-09-23 |
Detector | DECTRIS EIGER X 9M |
Wavelength(s) | 0.9538 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 63.650, 84.990, 69.780 |
Unit cell angles | 90.00, 113.28, 90.00 |
Refinement procedure
Resolution | 51.180 - 2.300 |
R-factor | 0.1945 |
Rwork | 0.192 |
R-free | 0.24890 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5tfr |
RMSD bond length | 0.008 |
RMSD bond angle | 0.910 |
Data reduction software | XDS |
Data scaling software | XDS |
Phasing software | MOLREP |
Refinement software | BUSTER (2.10.3 (3-OCT-2019)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 51.180 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.085 | |
Number of reflections | 29894 | 10139 |
<I/σ(I)> | 10.22 | |
Completeness [%] | 98.2 | |
Redundancy | 3.5 | |
CC(1/2) | 0.997 | 0.656 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 293 | 10% PEG 6000, 0.2M HEPES pH 7.5 |