4KP6
Crystal structure of human phosphodiesterase 4B (PDE4B) in complex with a [1,3,5]triazine derivative
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-07-28 |
Detector | MARRESEARCH |
Wavelength(s) | 0.9793 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 53.332, 53.332, 229.048 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 57.260 - 1.500 |
R-factor | 0.16872 |
Rwork | 0.168 |
R-free | 0.19763 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.012 |
RMSD bond angle | 1.359 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 57.260 | |
High resolution limit [Å] | 1.500 | 1.500 |
Rmerge | 0.082 | |
Number of reflections | 48537 | |
<I/σ(I)> | 4.7 | |
Completeness [%] | 89.3 | 89.3 |
Redundancy | 3.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.9 | 293 | ethylene glycole, PEG1K, pH 5.9, VAPOR DIFFUSION, SITTING DROP, temperature 293K |