6P6L
HCV NS3/4A protease domain of genotype 1a in complex with glecaprevir
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2018-03-27 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 55.026, 58.757, 60.058 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 26.359 - 1.728 |
R-factor | 0.1534 |
Rwork | 0.152 |
R-free | 0.18470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5voj |
RMSD bond length | 0.010 |
RMSD bond angle | 1.062 |
Data reduction software | HKL-3000 |
Data scaling software | HKL-3000 |
Phasing software | PHASER |
Refinement software | PHENIX ((1.14_3211: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 26.359 | 1.790 |
High resolution limit [Å] | 1.728 | 1.728 |
Rmerge | 0.045 | 0.180 |
Number of reflections | 19501 | 1601 |
<I/σ(I)> | 37.76 | |
Completeness [%] | 92.6 | |
Redundancy | 5.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 0.1 M MES pH 6.5 2% (NH4)2SO4 20% PEG 3350 |