4KHR
HCV NS5B GT1A C316Y with GSK5852
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08ID-1 |
Synchrotron site | CLSI |
Beamline | 08ID-1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2011-09-27 |
Detector | RAYONIX MX300HE |
Wavelength(s) | 0.97949 |
Spacegroup name | P 1 |
Unit cell lengths | 53.353, 60.740, 91.985 |
Unit cell angles | 89.32, 86.64, 80.32 |
Refinement procedure
Resolution | 29.940 - 2.450 |
R-factor | 0.21 |
Rwork | 0.208 |
R-free | 0.24600 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.120 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.410 |
High resolution limit [Å] | 2.330 | 2.330 |
Rmerge | 0.148 | 0.584 |
Number of reflections | 48178 | |
<I/σ(I)> | 4.6 | |
Completeness [%] | 98.5 | 97.6 |
Redundancy | 3.9 | 3.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 298 | 0.1M Hepes pH7.5, 14% PEG6000, 0.2M ammonium sulfate, 10% glycerol, pH 5.0, vapor diffusion, hanging drop, temperature 298K |