6UE3
Crystal structure of HCV NS3/4A D168A protease in complex with PC (JZ01-15)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-07-17 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.616, 58.511, 59.938 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.290 - 1.560 |
R-factor | 0.1567 |
Rwork | 0.155 |
R-free | 0.18100 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5voj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.502 |
Data reduction software | HKL-3000 (V703X) |
Data scaling software | HKL-3000 (V703X) |
Phasing software | PHASER |
Refinement software | PHENIX (1.15.2_3472) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.700 | 1.590 |
High resolution limit [Å] | 1.560 | 1.560 |
Number of reflections | 28103 | 1114 |
<I/σ(I)> | 25.2 | |
Completeness [%] | 98.3 | |
Redundancy | 8.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 298 | 20-26% PEG 3350, 0.1 M sodium MES pH 6.5, 1-4% ammonium sulfate |