3ITM
Catalytic domain of hPDE2A
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 108.017, 108.017, 515.563 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 50.000 - 2.490 |
| R-factor | 0.22982 |
| Rwork | 0.227 |
| R-free | 0.28648 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.033 |
| RMSD bond angle | 2.029 |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.580 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Number of reflections | 54006 | |
| <I/σ(I)> | 19.36 | 2.19 |
| Completeness [%] | 84.3 | 38.1 |
| Redundancy | 6.52 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | Reservoir - 20% PDEG 3350, 0.2M tri-sodium citrate. Protein - 25mM Hepes pH7.5, 25mM NaCl, 2mM TCEP, 10ug/mL E-64, 1ug/mL pepstatin., VAPOR DIFFUSION, HANGING DROP, temperature 293K |
