2OIN
crystal structure of HCV NS3-4A R155K mutant
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 | 2006-05-26 |
Detector | ADSC QUANTUM 210 |
Spacegroup name | H 3 2 |
Unit cell lengths | 225.310, 225.310, 75.660 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 19.930 - 2.500 |
R-factor | 0.203 |
Rwork | 0.200 |
R-free | 0.24600 |
Structure solution method | FOURIER SYNTHESIS |
Starting model (for MR) | HCV NS3-4A wild type protease |
RMSD bond length | 0.005 |
RMSD bond angle | 0.900 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | CNX (2005) |
Refinement software | CNS |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 25.000 | 25.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.370 | 2.500 |
Rmerge | 0.090 | 0.041 | 0.462 |
Number of reflections | 22116 | ||
<I/σ(I)> | 12.1 | ||
Completeness [%] | 86.8 | 93.7 | 35.5 |
Redundancy | 4.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.2 | 298 | 1.4M NaCl, 0.3M KH2PO4, 0.1M MES, pH 6.2, 10.0mM PME, protein concentration 8mg/ml, VAPOR DIFFUSION, HANGING DROP, temperature 298K |