6P6T
HCV NS3/4A protease domain of genotype 4a 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 | 2018-06-11 |
Detector | RIGAKU SATURN 944 |
Wavelength(s) | 1.5418 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 44.093, 62.060, 60.989 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 30.495 - 2.300 |
R-factor | 0.1738 |
Rwork | 0.169 |
R-free | 0.21490 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5voj |
RMSD bond length | 0.003 |
RMSD bond angle | 0.726 |
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] | 30.495 | 2.382 |
High resolution limit [Å] | 2.300 | 2.300 |
Rmerge | 0.080 | 0.302 |
Number of reflections | 7810 | 735 |
<I/σ(I)> | 22.01 | |
Completeness [%] | 99.5 | |
Redundancy | 6.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 293 | 10% PEG 1000 10% PEG 8000 3 mM glecaprevir |