5QJ0
CRYSTAL STRUCTURE OF THE HEPATITIS C VIRUS GENOTYPE 2A STRAIN JFH1 NS5B RNA-DEPENDENT RNA POLYMERASE IN COMPLEX WITH 6-[ethyl(methylsulfonyl)amino]-2-(4-fluorophenyl)-N-methyl-5-(3-{[1-(pyrimidin-2-yl)cyclopropyl]carbamoyl}phenyl)-1-benzofuran-3-carboxamide
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 | 2011-05-21 |
Detector | RAYONIX MX-300 |
Wavelength(s) | 0.9793 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 62.250, 89.986, 124.090 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.490 - 2.080 |
R-factor | 0.174 |
Rwork | 0.173 |
R-free | 0.21000 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1yuy |
RMSD bond length | 0.010 |
RMSD bond angle | 1.010 |
Data reduction software | XDS |
Data scaling software | SCALA |
Phasing software | AMoRE |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.040 | 2.190 |
High resolution limit [Å] | 2.080 | 2.080 |
Number of reflections | 41175 | |
<I/σ(I)> | 14.9 | 3.8 |
Completeness [%] | 96.6 | 87.5 |
Redundancy | 5.8 | 4.1 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.3 | 277 | 100 mM sodium citrate, pH 4.6, 200 mM (NH4)2SO4, 25% (w/v) PEG 4000 |