3U2E
EAL domain of phosphodiesterase PdeA in complex with 5'-pGpG and Mg++
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 21-ID-F |
| Synchrotron site | APS |
| Beamline | 21-ID-F |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-08-24 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.97872 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.144, 75.154, 129.066 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.320 |
| R-factor | 0.19175 |
| Rwork | 0.189 |
| R-free | 0.23737 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3s83 |
| RMSD bond length | 0.015 |
| RMSD bond angle | 1.738 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.6.0117) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 30.000 | 2.360 |
| High resolution limit [Å] | 2.320 | 2.320 |
| Rmerge | 0.093 | 0.454 |
| Number of reflections | 51468 | |
| <I/σ(I)> | 30.76 | 5.02 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 7.7 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.3 | 293 | 0.2 M Magnesium chloride hexahydrate, 20% w/v PEG3350, pH 8.3, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
