1Y2H
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 1-(2-chloro-phenyl)-3,5-dimethyl-1H-pyrazole-4-carboxylic acid ethyl ester
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 8.3.1 |
| Synchrotron site | ALS |
| Beamline | 8.3.1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Detector | ADSC QUANTUM 210 |
| Wavelength(s) | 1.1 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.541, 94.178, 106.819 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 70.710 - 2.400 |
| R-factor | 0.24762 |
| Rwork | 0.245 |
| R-free | 0.29933 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.198 |
| Data scaling software | ELVES |
| Phasing software | EPMR |
| Refinement software | REFMAC (5.1.25) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.710 | 2.462 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.072 | 0.878 |
| Number of reflections | 33955 | |
| <I/σ(I)> | 7.3 | 1.4 |
| Completeness [%] | 99.5 | 100 |
| Redundancy | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 10 | 277 | ammonium sulfate and lithium sulfate, pH 10, VAPOR DIFFUSION, SITTING DROP, temperature 277K |
