5HMZ
Dengue serotype 3 RNA-dependent RNA polymerase bound to compound 23
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2013-10-28 |
Detector | PSI PILATUS 6M |
Wavelength(s) | 1.0 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 160.875, 175.498, 57.870 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.800 - 1.990 |
R-factor | 0.1829 |
Rwork | 0.181 |
R-free | 0.21110 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hhj |
RMSD bond length | 0.010 |
RMSD bond angle | 0.980 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.27) |
Phasing software | BUSTER-TNT |
Refinement software | BUSTER (2.11.4) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 118.590 | 118.590 | 2.220 |
High resolution limit [Å] | 1.990 | 4.450 | 1.990 |
Rmerge | 0.076 | 0.024 | 0.725 |
Number of reflections | 56377 | ||
<I/σ(I)> | 19.7 | 67.1 | 2.9 |
Completeness [%] | 99.6 | 99.9 | 99 |
Redundancy | 6.7 | 6.4 | 6.9 |
CC(1/2) | 0.999 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M TRIS, 25% PEG 550 MME |