6MVK
HCV NS5B 1b N316 bound to Compound 18
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-F |
Synchrotron site | APS |
Beamline | 21-ID-F |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-07-13 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.372, 107.468, 126.744 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.750 - 2.300 |
R-factor | 0.2097 |
Rwork | 0.207 |
R-free | 0.23700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.094 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | REFMAC (5.6.0081) |
Refinement software | REFMAC (5.6.0081) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 30.000 | 30.000 | 2.340 |
High resolution limit [Å] | 2.300 | 6.230 | 2.300 |
Rmerge | 0.105 | 0.044 | 0.470 |
Total number of observations | 378618 | ||
Number of reflections | 52919 | 2866 | 2637 |
<I/σ(I)> | 5.4 | ||
Completeness [%] | 99.7 | 100 | 99.8 |
Redundancy | 7.2 | 6.8 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5 | 298 | 0.1M Na Citrate pH5.0, 10% glycerol, 15% PEG3350 |