5F41
DENGUE SEROTYPE 3 RNA-DEPENDENT RNA POLYMERASE BOUND TO FD-83-KI26
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 | 2013-02-05 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 161.700, 178.330, 57.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.000 |
R-factor | 0.1877 |
Rwork | 0.186 |
R-free | 0.22410 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hhj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.000 |
Data scaling software | SCALA (3.3.20) |
Phasing software | BUSTER-TNT (BUSTER 2.11.5) |
Refinement software | BUSTER-TNT (BUSTER 2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 119.788 | 40.425 | 2.071 |
High resolution limit [Å] | 2.000 | 6.320 | 2.000 |
Rmerge | 0.035 | 0.452 | |
Rmeas | 0.113 | ||
Rpim | 0.048 | 0.018 | 0.380 |
Total number of observations | 292809 | 11175 | 31872 |
Number of reflections | 56695 | ||
<I/σ(I)> | 10.9 | 30.1 | 2.1 |
Completeness [%] | 99.4 | 99.3 | 97.6 |
Redundancy | 5.2 | 5.7 | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M TRIS PH 8.0, 25% PEG 550 MME |