6H9R
Dengue-RdRp3-inhibitor complex soaking
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I03 |
Synchrotron site | Diamond |
Beamline | I03 |
Temperature [K] | 80 |
Detector technology | PIXEL |
Collection date | 2016-04-05 |
Detector | DECTRIS PILATUS3 6M |
Wavelength(s) | 0.98 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 164.691, 181.210, 57.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.789 - 2.400 |
R-factor | 0.2003 |
Rwork | 0.198 |
R-free | 0.24750 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4hhj |
RMSD bond length | 0.012 |
RMSD bond angle | 1.200 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.800 | 2.530 |
High resolution limit [Å] | 2.400 | 2.400 |
Rmerge | 0.053 | 0.464 |
Number of reflections | 34409 | |
<I/σ(I)> | 10.6 | |
Completeness [%] | 99.0 | 99.8 |
Redundancy | 2 | |
CC(1/2) | 0.996 | 0.774 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 8 | 291 | 0.1M Tris pH 8.0, 22% PEG 550 MME |