3FQL
Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL9-2 |
Synchrotron site | SSRL |
Beamline | BL9-2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-11-15 |
Detector | MARMOSAIC 325 mm CCD |
Wavelength(s) | 0.97946 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 60.044, 60.896, 155.231 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 40.000 - 1.800 |
R-factor | 0.1914 |
Rwork | 0.190 |
R-free | 0.22337 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2giq |
RMSD bond length | 0.008 |
RMSD bond angle | 1.157 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.110 | 1.860 |
High resolution limit [Å] | 1.800 | 1.800 |
Number of reflections | 50278 | |
<I/σ(I)> | 27.5 | 1.91 |
Completeness [%] | 93.7 | 66.7 |
Redundancy | 6.4 | 3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 293 | 50 mM NA CITRATE, 26% PEG 4000, 7.5% GLYCEROL, pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |