5HMY
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 15
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 PILATUS 2M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 160.880, 177.110, 58.070 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 21.170 - 2.100 |
R-factor | 0.1852 |
Rwork | 0.184 |
R-free | 0.21320 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hhj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.030 |
Data reduction software | iMOSFLM |
Data scaling software | SCALA (3.3.20) |
Phasing software | BUSTER-TNT |
Refinement software | BUSTER (2.11.5) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 119.085 | 47.083 | 2.210 |
High resolution limit [Å] | 2.100 | 6.640 | 2.100 |
Rmerge | 0.032 | 0.480 | |
Number of reflections | 48496 | ||
<I/σ(I)> | 9.8 | 19.4 | 1.5 |
Completeness [%] | 99.3 | 99.1 | 98.7 |
Redundancy | 3.9 | 3.6 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M TRIS, 25% PEG 550 MME |