3RC5
Molecular mechanisms of viral and host-cell substrate recognition by HCV NS3/4A protease
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Collection date | 2010-08-05 |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 54.096, 58.210, 61.325 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 27.050 - 1.600 |
R-factor | 0.1725 |
Rwork | 0.171 |
R-free | 0.19290 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | PDB ID 3M5M |
RMSD bond length | 0.009 |
RMSD bond angle | 1.260 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 1.660 |
High resolution limit [Å] | 1.600 | 3.450 | 1.600 |
Rmerge | 0.039 | 0.024 | 0.230 |
Number of reflections | 26041 | ||
<I/σ(I)> | 18.8 | ||
Completeness [%] | 99.3 | 97.4 | 99.1 |
Redundancy | 3.7 | 3.8 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | hanging drop, vapor diffusion | 6.5 | 295 | 20-25% PEG 3350, 0.1M MES (pH 6.5), 4% ammonium sulfate, hanging drop, vapor diffusion, temperature 295K |