4WX4
Crystal structure of 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 | 2013-03-25 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 1.000 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 41.454, 42.790, 59.059 |
Unit cell angles | 90.00, 93.16, 90.00 |
Refinement procedure
Resolution | 34.790 - 1.030 |
R-factor | 0.1182 |
Rwork | 0.117 |
R-free | 0.13650 |
RMSD bond length | 0.026 |
RMSD bond angle | 2.194 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 58.900 | 1.060 | |
High resolution limit [Å] | 1.030 | 4.610 | 1.030 |
Rmerge | 0.025 | 0.021 | 0.083 |
Rmeas | 0.029 | 0.026 | 0.110 |
Total number of observations | 273190 | ||
Number of reflections | 102036 | 1186 | 2996 |
<I/σ(I)> | 26.93 | 50.52 | 6.27 |
Completeness [%] | 85.7 | 98 | 39.8 |
Redundancy | 3.1 | 1.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | Crystallization Reservoir Solution = 0.2M proline, 0.1M HEPES pH 7.5, 10% PEG3350 Crystallization Protein Solution = 5 mg/ml adenain in 20 mM Tris, 100 mM NaCl, pH 7.6. 5 mM inhibitor added. |