2A4O
Dual modes of modification of Hepatitis A virus 3C protease by a serine derived beta-lactone: selective crytstallization and high resolution structure of the His102 adduct
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-04-20 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 1.115889 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 43.914, 56.072, 81.293 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 10.000 - 1.550 |
| R-factor | 0.17905 |
| Rwork | 0.178 |
| R-free | 0.19759 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.192 |
| Data scaling software | CCP4 ((SCALA)) |
| Phasing software | CNS |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.190 | 1.630 |
| High resolution limit [Å] | 1.550 | 1.550 |
| Rmerge | 0.052 | 0.343 |
| Number of reflections | 29065 | |
| <I/σ(I)> | 1.6 | |
| Completeness [%] | 97.6 | 95.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 297 | PEG 8000, Glycerol, Tris-HCl, pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 297K |
