4OGB
Crystal structure of the catalytic domain of PDE4D2 with compound 2
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 | 2013-08-09 |
Detector | ADSC QUANTUM 210r |
Wavelength(s) | 0.95 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 98.838, 111.550, 160.072 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 47.220 - 2.032 |
R-factor | 0.2044 |
Rwork | 0.202 |
R-free | 0.24350 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.109 |
Data reduction software | XDS |
Data scaling software | Aimless (0.1.29) |
Phasing software | PHASER (2.3.0) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 48.130 | 48.130 | 2.070 |
High resolution limit [Å] | 2.030 | 11.130 | 2.030 |
Rmerge | 0.060 | 0.017 | 0.797 |
Total number of observations | 3904 | 34914 | |
Number of reflections | 114257 | ||
<I/σ(I)> | 16.8 | 55.4 | 2 |
Completeness [%] | 99.9 | 96.8 | 98.1 |
Redundancy | 6.4 | 5 | 6.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 294 | 20% (w/v) PEG 3350, 25% (v/v) ethylene glycol, 10% (v/v) isopropanol and 100 mM HEPES pH 7.5, VAPOR DIFFUSION, HANGING DROP, temperature 294K |