4OK3
Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 7 [[1-(3-chlorobenzyl)-1H-indol-3-yl]acetic acid]
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Detector technology | PIXEL |
Detector | DECTRIS PILATUS 6M |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 81.394, 104.232, 117.954 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 36.090 - 2.300 |
R-factor | 0.2352 |
Rwork | 0.232 |
R-free | 0.29230 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.010 |
RMSD bond angle | 1.397 |
Data reduction software | d*TREK (9.9.2L) |
Data scaling software | d*TREK (9.9.2L) |
Refinement software | PHENIX (1.8.4_1496) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 47.670 | 47.670 | 2.380 |
High resolution limit [Å] | 2.300 | 4.950 | 2.300 |
Rmerge | 0.100 | 0.047 | 0.787 |
Total number of observations | 29545 | 29462 | |
Number of reflections | 45339 | ||
<I/σ(I)> | 7.7 | 23.5 | 1.2 |
Completeness [%] | 100.0 | 100 | 100 |
Redundancy | 6.29 | 6.06 | 6.52 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 |