4KE5
HCV NS5B GT1B N316Y with GSK5852
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-03-06 |
Detector | RAYONIX MX300HS |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.064, 106.855, 126.343 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.190 - 2.110 |
R-factor | 0.223 |
Rwork | 0.220 |
R-free | 0.26200 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.010 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.000 | 2.140 |
High resolution limit [Å] | 2.100 | 2.100 |
Rmerge | 0.103 | 0.428 |
Number of reflections | 66142 | |
<I/σ(I)> | 5.6 | |
Completeness [%] | 98.7 | 88.4 |
Redundancy | 7 | 4.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 5 | 298 | 0.1M citrate pH5.0, 17% PEG4000, 10% glycerol, vapor diffusion, hanging drop, temperature 298K |