3MF5
Hepatitis C virus polymerase NS5B (BK) with amide bioisostere thumb site inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALS BEAMLINE 5.0.1 |
Synchrotron site | ALS |
Beamline | 5.0.1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2004-02-05 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.000 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 85.447, 105.363, 126.119 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 48.610 - 2.000 |
Rwork | 0.186 |
R-free | 0.22210 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 0.990 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Refinement software | BUSTER (2.9.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.070 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.092 | 0.489 |
Number of reflections | 77132 | |
<I/σ(I)> | 21.39 | 3.75 |
Completeness [%] | 99.6 | 99 |
Redundancy | 7 | 6.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 4.9 | 273 | 26% PEG 4000, 7.5% glycerol, 50 mM Na citrate pH 4.9, VAPOR DIFFUSION, SITTING DROP, temperature 273K |