1XM6
Catalytic Domain Of Human Phosphodiesterase 4B In Complex With (R)-Mesopram
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 |
Collection date | 2003-07-31 |
Detector | ADSC QUANTUM 210 |
Wavelength(s) | 1.1 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 89.221, 94.062, 105.236 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 70.710 - 1.920 |
R-factor | 0.20229 |
Rwork | 0.201 |
R-free | 0.22673 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.414 |
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 | 1.970 |
High resolution limit [Å] | 1.920 | 1.920 |
Rmerge | 0.067 | 0.786 |
Number of reflections | 64601 | |
<I/σ(I)> | 6.2 | 1.5 |
Completeness [%] | 99.7 | 100 |
Redundancy | 7 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 10 | 277 | ammonium sulfate and lithium sulfate , pH 10.0, VAPOR DIFFUSION, SITTING DROP, temperature 277.0K |