3SL5
Crystal structure of the catalytic domain of PDE4D2 complexed with compound 10d
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | AUSTRALIAN SYNCHROTRON BEAMLINE MX1 |
Synchrotron site | Australian Synchrotron |
Beamline | MX1 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-05-18 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 1.0 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 97.394, 109.966, 159.613 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 61.729 - 2.650 |
R-factor | 0.1748 |
Rwork | 0.171 |
R-free | 0.24220 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.250 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.15) |
Phasing software | PHASER (1.3.2) |
Refinement software | PHENIX (1.5_2) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 159.613 | 61.729 | 2.790 |
High resolution limit [Å] | 2.650 | 8.380 | 2.650 |
Rmerge | 0.046 | 0.405 | |
Number of reflections | 46142 | ||
<I/σ(I)> | 12.3 | 10.8 | 1.9 |
Completeness [%] | 92.0 | 86.8 | 93 |
Redundancy | 5.3 | 5 | 5.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 294 | 20% PEG 3350, 25% (v/v) ethylene glycol, 10% (v/v) isopropanol, 100 mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 294K |