4JY1
CRYSTAL STRUCTURE OF HCV NS5B POLYMERASE IN COMPLEX WITH COMPOUND 5
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2004-07-09 |
Detector | MAR scanner 345 mm plate |
Wavelength(s) | 1.54 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.260, 108.030, 135.130 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 2.600 |
Rwork | 0.252 |
R-free | 0.29950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mwv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.380 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX (2002) |
Refinement software | CNX (2002) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 40.000 | 2.690 |
High resolution limit [Å] | 2.600 | 2.600 |
Rmerge | 0.075 | 0.589 |
Number of reflections | 48349 | |
<I/σ(I)> | 26.78 | 3.27 |
Completeness [%] | 99.8 | 99.4 |
Redundancy | 7.8 | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 284 | 100 mM MES, 21% PEGmme 5000, 400 mM Ammonium sulfate, 10% glycerol, pH 5.4, VAPOR DIFFUSION, HANGING DROP, temperature 284K |