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 |