2YOJ
HCV NS5B polymerase complexed with pyridonylindole compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 95 |
Detector technology | PIXEL |
Collection date | 2007-10-11 |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 90.271, 106.227, 134.553 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.910 - 1.760 |
R-factor | 0.1783 |
Rwork | 0.177 |
R-free | 0.20890 |
Structure solution method | OTHER |
Starting model (for MR) | NONE |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | BUSTER (2.11.2) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rmerge | 0.040 | 0.440 |
Number of reflections | 125012 | |
<I/σ(I)> | 29.7 | 3.1 |
Completeness [%] | 97.0 | 93 |
Redundancy | 4.9 | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 14.0 %W/V PEG 3350, 100.0 MM DI-SODIUM CITRATE PH 5.9 |