1ND3
The structure of HRV16, when complexed with pleconaril, an antiviral compound
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Spacegroup name | P 2 21 21 |
Unit cell lengths | 360.301, 343.331, 332.632 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.800 |
R-factor | 0.247 |
Rwork | 0.247 |
R-free | 0.24300 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 * |
RMSD bond angle | 1.340 * |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 20.000 | |
High resolution limit [Å] | 2.800 | |
Rmerge | 0.082 * | 0.191 * |
Total number of observations | 1224998 * | |
Number of reflections | 731062 | |
Completeness [%] | 95.1 * | 62.6 * |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion, hanging drop * |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | reservoir | HEPES | 0.25 (M) | |
2 | 1 | reservoir | 0.25 (M) | ||
3 | 1 | reservoir | 0.1 (M) | ||
4 | 1 | reservoir | PEG8000 | 0.3 (%) | |
5 | 1 | drop | protein | 20000 (mg/ml) |