1JQ7
HCMV protease dimer-interface mutant, S225Y complexed to Inhibitor BILC 408
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X8C |
| Synchrotron site | NSLS |
| Beamline | X8C |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2001-04-02 |
| Detector | ADSC QUANTUM 4 |
| Wavelength(s) | 0.978 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 74.250, 74.250, 215.800 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 19.990 - 3.000 |
| R-factor | 0.26 * |
| Rwork | 0.260 |
| R-free | 0.33900 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2WPO (dimer) |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | COMO |
| Refinement software | CNS (1.0) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.900 | 3.190 |
| High resolution limit [Å] | 3.000 | 3.000 |
| Rmerge | 0.050 * | 0.129 * |
| Total number of observations | 48246 * | |
| Number of reflections | 10900 | |
| Completeness [%] | 85.5 | 97 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 21 * | Tong, L., (1998) Nature Struct. Biol., 5, 819. * |
Crystallization Reagents in Literatures
| ID | crystal ID | solution | reagent name | concentration (unit) | details |
| 1 | 1 | drop | protein | 7 (mg/ml) | |
| 2 | 1 | reservoir | PEG4000 | 18 (%) | |
| 3 | 1 | reservoir | HEPES | 0.1 (M) | pH7.5 |
| 4 | 1 | reservoir | 0.2 (M) | ||
| 5 | 1 | reservoir | glycerol | 10 (%) | |
| 6 | 1 | reservoir | spermine | 50 (mM) |
