1Y2J
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With 3,5-dimethyl-1-(3-nitro-phenyl)-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 | 89.484, 94.235, 106.843 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.710 - 2.550 |
R-factor | 0.24627 |
Rwork | 0.244 |
R-free | 0.29741 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.014 |
RMSD bond angle | 1.513 |
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 | 2.616 |
High resolution limit [Å] | 2.550 | 2.550 |
Rmerge | 0.101 | 0.569 |
Number of reflections | 24128 | |
<I/σ(I)> | 5.1 | 1.8 |
Completeness [%] | 84.5 | 89.8 |
Redundancy | 4.1 | 4 |
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 |