3ITU
hPDE2A catalytic domain complexed with IBMX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 23-ID-B |
| Synchrotron site | APS |
| Beamline | 23-ID-B |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 |
| Unit cell lengths | 55.815, 73.287, 91.532 |
| Unit cell angles | 109.30, 88.80, 89.00 |
Refinement procedure
| Resolution | 50.000 - 1.580 |
| R-factor | 0.177 |
| Rwork | 0.174 |
| R-free | 0.23300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.029 |
| RMSD bond angle | 2.249 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.640 |
| High resolution limit [Å] | 1.580 | 1.580 |
| Rmerge | 0.110 | 0.338 |
| Number of reflections | 157174 | |
| <I/σ(I)> | 8.8 | |
| Completeness [%] | 83.9 | 36.7 |
| Redundancy | 2.7 | 1.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8.5 | 293 | Reservoir: 25% PEG 3350, 0.1M Tris pH8.5, 0.2M MgCl2 Protein: 25mM HEPES pH 7.5, 25mM NaCl, 2mM TCEP, 10ug/ml E-64, 1ug/ml pepstatin, 1mM IBMX, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
