3WD9
Crystal structure of phosphodiesterase 4B in complex with compound 10f
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PHOTON FACTORY BEAMLINE AR-NW12A |
Synchrotron site | Photon Factory |
Beamline | AR-NW12A |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2009-10-13 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 2 |
Unit cell lengths | 81.305, 157.376, 58.050 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 19.810 - 2.500 |
R-factor | 0.1828 |
Rwork | 0.174 |
R-free | 0.26720 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3w5e |
RMSD bond length | 0.010 |
RMSD bond angle | 1.305 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.097 | 0.060 | 0.490 |
Number of reflections | 24214 | ||
<I/σ(I)> | 9.7 | ||
Completeness [%] | 91.2 | 93.9 | 91.1 |
Redundancy | 4.9 | 4.7 | 5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 8 | 277 | 10-20% PEG 3350, 0.2-0.4M CaCl2, 0.1M Tris/HCl (pH8.0), VAPOR DIFFUSION, SITTING DROP, temperature 277K |