4WX6
Crystal structure of human adenovirus 8 protease with an irreversible vinyl sulfone 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 | 2013-05-20 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 32 |
| Unit cell lengths | 41.733, 41.733, 193.552 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 36.140 - 2.150 |
| R-factor | 0.2139 |
| Rwork | 0.210 |
| R-free | 0.28570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.015 |
| RMSD bond angle | 2.051 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0071) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 36.150 | 2.210 | |
| High resolution limit [Å] | 2.150 | 9.620 | 2.150 |
| Rmerge | 0.054 | 0.028 | 0.270 |
| Rmeas | 0.062 | 0.031 | 0.328 |
| Total number of observations | 64802 | ||
| Number of reflections | 17707 | 235 | 923 |
| <I/σ(I)> | 15.86 | 38.19 | 2.65 |
| Completeness [%] | 86.3 | 100 | 59.4 |
| Redundancy | 3.66 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 298 | 0.2M Na citrate, 20% w/v PEG3350, 5 mg/ml protein, 2 mM inhibitor |
