3GOL
HCV NS5b polymerase in complex with 1,5 benzodiazepine inhibitor (R)-11d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X10SA |
Synchrotron site | SLS |
Beamline | X10SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2006-01-01 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.97630 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 106.048, 106.620, 134.679 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 41.810 - 2.850 |
R-factor | 0.19133 |
Rwork | 0.188 |
R-free | 0.25030 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.011 |
RMSD bond angle | 1.341 |
Data reduction software | XDS |
Data scaling software | XDS |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.810 | 2.950 |
High resolution limit [Å] | 2.850 | 2.850 |
Rmerge | 0.162 | 0.501 |
Number of reflections | 36205 | |
<I/σ(I)> | 10.5 | 3.3 |
Completeness [%] | 99.6 | 99.5 |
Redundancy | 4.1 | 4.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.75 | 293 | 5-8% PEG 6000, 100mM Mg-Salts, pH 6.75, VAPOR DIFFUSION, HANGING DROP, temperature 293K |