1QA7
CRYSTAL COMPLEX OF THE 3C PROTEINASE FROM HEPATITIS A VIRUS WITH ITS INHIBITOR AND IMPLICATIONS FOR THE POLYPROTEIN PROCESSING IN HAV
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Collection date | 1997-12-10 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 50.562, 78.357, 105.287 |
| Unit cell angles | 90.00, 97.50, 90.00 |
Refinement procedure
| Resolution | 15.000 - 1.900 |
| R-factor | 0.214 |
| Rwork | 0.204 |
| R-free | 0.29800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ID 1hav |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.420 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | TNT (5E) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 15.000 | 1.960 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Rmerge | 0.033 | 0.157 |
| Total number of observations | 494113 * | |
| Number of reflections | 59384 | 4001 * |
| <I/σ(I)> | 4.8 | |
| Completeness [%] | 92.3 | 74.7 |
| Redundancy | 3 | 1.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 * | 298 | 100mM TRIS, 5% DMSO, 18% PEG 8000 , pH 8.5, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 10 (mg/ml) | |
| 2 | 1 | drop | Tris | 10 (mM) | |
| 3 | 1 | reservoir | Tris | 100 (mM) | |
| 4 | 1 | reservoir | DMSO | 5 (%) | |
| 5 | 1 | reservoir | PEG8000 | 18 (%) |
