3HHK
HCV NS5b polymerase complex with a substituted benzothiadizine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE BM1A |
Synchrotron site | ESRF |
Beamline | BM1A |
Temperature [K] | 100 |
Wavelength(s) | 1.0000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.740, 107.442, 126.807 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 81.920 - 1.700 |
R-factor | 0.22989 |
Rwork | 0.229 |
R-free | 0.24962 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.005 |
RMSD bond angle | 0.939 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | REFMAC (5.0) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 81.920 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.066 |
Number of reflections | 112795 |
<I/σ(I)> | 11.3 |
Completeness [%] | 87.0 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | micro seeding requied, chnage from pH 5.5 to 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |