4PIS
Crystal structure of human adenovirus 8 protease in complex with a nitrile inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-09-02 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 42.061, 42.061, 193.238 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.430 - 2.100 |
| R-factor | 0.2343 |
| Rwork | 0.232 |
| R-free | 0.27900 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.080 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | BUSTER (2.11.5) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.430 | 2.150 | |
| High resolution limit [Å] | 2.100 | 9.390 | 2.100 |
| Rmerge | 0.078 | 0.036 | 0.616 |
| Rmeas | 0.083 | 0.039 | 0.651 |
| Total number of observations | 111800 | ||
| Number of reflections | 12338 | 181 | 859 |
| <I/σ(I)> | 15.23 | 31.11 | 3.01 |
| Completeness [%] | 99.8 | 99.5 | 100 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 2mM inhibitor added. Cocrystallization in 0.2M sodium citrate, 20% PEG3350 |
