1SO2
CATALYTIC DOMAIN OF HUMAN PHOSPHODIESTERASE 3B In COMPLEX WITH A DIHYDROPYRIDAZINE INHIBITOR
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 |
| Collection date | 2002-11-07 |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.0 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 147.482, 121.772, 126.671 |
| Unit cell angles | 90.00, 100.74, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.400 |
| R-factor | 0.239 |
| Rwork | 0.232 |
| R-free | 0.27700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1f0j |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.370 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNX |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.064 | 0.315 |
| Number of reflections | 85711 | |
| <I/σ(I)> | 9.4 | 2.2 |
| Completeness [%] | 99.8 | 99.7 |
| Redundancy | 5 | 5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 277 | Peg MMe, MES, MAgnesium Sulfate, HEGA-9, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
