1T8Q
Structural genomics, Crystal structure of Glycerophosphoryl diester phosphodiesterase from E. coli
Experimental procedure
| Experimental method | MAD |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-11-19 |
| Detector | SBC-2 |
| Wavelength(s) | 0.9795, 0.9798, 0.94656 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 62.759, 118.386, 242.048 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.560 - 2.000 |
| R-factor | 0.233 |
| Rwork | 0.233 |
| R-free | 0.26500 |
| Structure solution method | MAD |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.400 |
| Data scaling software | HKL-2000 |
| Phasing software | CNS |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.070 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.086 | 0.524 |
| Number of reflections | 226817 | |
| <I/σ(I)> | 18.83 | 1.68 |
| Completeness [%] | 94.8 | 63.5 |
| Redundancy | 5.2 | 4.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.6 | 298 | 16% PEG8000, 20% glycerol, 80 nM Na Cacodylate buffer, 0.16M Mg Acetate, pH 5.6, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
