3PHE
HCV NS5B with a bound quinolone inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.2 |
Synchrotron site | ALS |
Beamline | 5.0.2 |
Temperature [K] | 77 |
Detector technology | CCD |
Collection date | 2005-07-07 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 1.00 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 101.751, 101.972, 251.087 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 50.000 - 2.200 |
R-factor | 0.223 |
Rwork | 0.219 |
R-free | 0.26400 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.050 |
RMSD bond angle | 0.743 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | EPMR |
Refinement software | CNX (2005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.240 |
High resolution limit [Å] | 2.200 | 2.200 |
Number of reflections | 129621 | |
Completeness [%] | 97.1 | 86.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.1 | 291 | 16% PEG 4K, 10% glycerol, 5 mM beta-mercaptoethanol, 0.3 M NaCl, 0.1 M NaAcetate, pH 5.1, VAPOR DIFFUSION, temperature 291K |