4JMY
Crystal structure of HCV NS3/NS4A protease complexed with DDIVPC peptide
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU FR-E SUPERBRIGHT |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | RAYONIX SX-165mm |
Wavelength(s) | 1.5418 |
Spacegroup name | P 61 |
Unit cell lengths | 94.123, 94.123, 83.236 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 58.238 - 1.950 |
R-factor | 0.2179 |
Rwork | 0.216 |
R-free | 0.25440 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.134 |
Data reduction software | d*TREK |
Data scaling software | d*TREK |
Phasing software | PHENIX |
Refinement software | PHENIX ((phenix.refine: 1.7_650)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 58.240 | 2.020 |
High resolution limit [Å] | 1.950 | 1.950 |
Rmerge | 0.047 | 0.331 |
Number of reflections | 30448 | |
<I/σ(I)> | 10.7 | |
Completeness [%] | 99.5 | 99.5 |
Redundancy | 3.59 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6 | 291 | 3M NaCl, 0.1M Na Citrate pH6.0, 2.5% T-butanol, 20mM OBG, 5mM DTT, 3mM sodium azide, VAPOR DIFFUSION, HANGING DROP, temperature 291K |