5F3T
Dengue serotype 3 RNA-dependent RNA polymerase bound to JF-31-MG46
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 | 2012-08-02 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 161.580, 177.090, 57.880 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.400 - 2.050 |
R-factor | 0.1881 |
Rwork | 0.186 |
R-free | 0.22030 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hhj |
RMSD bond length | 0.009 |
RMSD bond angle | 0.990 |
Data reduction software | MOSFLM |
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] | 119.362 | 40.395 | 2.160 |
High resolution limit [Å] | 2.050 | 6.480 | 2.050 |
Rmerge | 0.045 | 0.478 | |
Rmeas | 0.140 | ||
Rpim | 0.055 | 0.018 | 0.424 |
Total number of observations | 330511 | 12348 | 44006 |
Number of reflections | 52280 | ||
<I/σ(I)> | 9.9 | 31.5 | 1.9 |
Completeness [%] | 99.5 | 99.6 | 98.82 |
Redundancy | 6.3 | 6.8 | 5.9 |
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 |