5XKM
Crystal structure of human phosphodiesterase 2A in complex with 6-methyl-N-(1-(4-(trifluoromethoxy)phenyl)propyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.3 |
| Synchrotron site | ALS |
| Beamline | 5.0.3 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-09-08 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97645 |
| Spacegroup name | P 1 |
| Unit cell lengths | 72.925, 89.768, 90.361 |
| Unit cell angles | 107.31, 113.85, 89.84 |
Refinement procedure
| Resolution | 84.820 - 2.160 |
| R-factor | 0.20452 |
| Rwork | 0.202 |
| R-free | 0.25635 |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.942 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0049) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 84.820 |
| High resolution limit [Å] | 2.160 |
| Number of reflections | 100556 |
| <I/σ(I)> | 8.5 |
| Completeness [%] | 96.8 |
| Redundancy | 1.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 100 mM tris HCl, pH 7.50, 410 mM magnesium chloride hexahydrate, 29.3%w/v PEG 3350 |
