4JTZ
Crystal structure of hcv ns5b polymerase in complex with compound 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-08-18 |
Detector | RAYONIX MX-225 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.090, 106.910, 135.930 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.800 |
Rwork | 0.221 |
R-free | 0.29600 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3mwv |
RMSD bond length | 0.007 |
RMSD bond angle | 1.307 |
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] | 50.000 | 2.900 |
High resolution limit [Å] | 2.800 | 2.800 |
Rmerge | 0.119 | 0.703 |
Number of reflections | 37332 | |
<I/σ(I)> | 13.81 | 1.81 |
Completeness [%] | 96.3 | 85.2 |
Redundancy | 6.51 | 4.4 |
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 |