1OS5
Crystal structure of HCV NS5B RNA polymerase complexed with a novel non-competitive inhibitor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2000-04-09 |
Detector | MARRESEARCH |
Wavelength(s) | 1.5418 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 83.000, 83.000, 180.000 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 10.000 - 2.200 |
R-factor | 0.201 |
Rwork | 0.207 |
R-free | 0.25100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | NS5B polymerase with single mutation at K106Q or K114R. |
RMSD bond length | 0.008 |
RMSD bond angle | 1.530 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | X-PLOR (3.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | 2.300 |
High resolution limit [Å] | 2.200 | 2.200 |
Rmerge | 0.034 | 0.108 |
Number of reflections | 31057 | |
<I/σ(I)> | 20 | 10 |
Completeness [%] | 97.0 | 72 |
Redundancy | 6.7 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 4.6 | 4 * | ammonium sulfate, ammonium acetate, mePEG2000, pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | ammonium acetate | 0.2 (M) | |
2 | 1 | reservoir | PEG2000 MME | 0.1 (M) | |
3 | 1 | reservoir | PEG2000 MME | 30 (%) | pH4.6 |