5VOJ
Crystal structure of HCV NS3/4A protease in complex with JZ01-15, an analogue of 5172-mcP1P3
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU MICROMAX-007 HF |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-02-13 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.54178 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.365, 58.600, 59.904 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.945 - 1.799 |
R-factor | 0.1614 |
Rwork | 0.160 |
R-free | 0.19280 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5epn |
RMSD bond length | 0.005 |
RMSD bond angle | 1.106 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.11.1_2575: ???)) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 20.950 |
High resolution limit [Å] | 1.799 |
Number of reflections | 17608 |
<I/σ(I)> | 7.8 |
Completeness [%] | 94.1 |
Redundancy | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | 100 mM MES BUFFER pH 6.5, 4% (W/V) AMMONIUM SULFATE, 20-26% PEG 3350 |