2OTD
The crystal structure of the glycerophosphodiester phosphodiesterase from Shigella flexneri 2a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 19-ID |
| Synchrotron site | APS |
| Beamline | 19-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2006-12-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97980 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 80.617, 82.185, 223.202 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.060 - 2.600 |
| R-factor | 0.22362 |
| Rwork | 0.221 |
| R-free | 0.27567 |
| Structure solution method | SAD |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.508 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.668 |
| High resolution limit [Å] | 2.600 | 2.600 |
| Rmerge | 0.125 | |
| Number of reflections | 44014 | |
| <I/σ(I)> | 19.56 | 1.85 |
| Completeness [%] | 99.7 | 99.2 |
| Redundancy | 9.2 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.6 | 298 | 0.3M KCl, 10% PEG 6000, 15% Glycerol, pH 7.6, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
