5K5M
Co-Crystal Structure of Dengue Virus Serotype 2 RNA Dependent RNA Polymerase with Compound 27
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2014-05-21 |
Detector | DECTRIS PILATUS 2M-F |
Wavelength(s) | 1.0 |
Spacegroup name | I 2 2 2 |
Unit cell lengths | 82.140, 115.770, 148.590 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 91.320 - 2.010 |
R-factor | 0.1796 |
Rwork | 0.178 |
R-free | 0.21620 |
RMSD bond length | 0.010 |
RMSD bond angle | 0.970 |
Data scaling software | Aimless (0.1.27) |
Refinement software | BUSTER-TNT |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 91.320 | 2.020 |
High resolution limit [Å] | 2.010 | 2.010 |
Rmerge | 0.062 | 0.617 |
Number of reflections | 47145 | |
<I/σ(I)> | 24.3 | 3.74 |
Completeness [%] | 100.0 | 100 |
Redundancy | 6.7 | 6.9 |
CC(1/2) | 0.997 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 7 | 298 | 0.35M MgCl2, 16% PEG 4000, 0.1M MES pH 7.0 |