3D03
1.9A structure of Glycerophoshphodiesterase (GpdQ) from Enterobacter aerogenes
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 | 2007-11-13 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.95367 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 94.967, 133.842, 168.941 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.270 - 1.900 |
| R-factor | 0.18623 |
| Rwork | 0.184 |
| R-free | 0.22333 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2dxl |
| RMSD bond length | 0.016 |
| RMSD bond angle | 1.557 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 43.300 | 2.000 |
| High resolution limit [Å] | 1.900 | 1.900 |
| Number of reflections | 163812 | |
| <I/σ(I)> | 11.9 | 1.9 |
| Completeness [%] | 96.7 | 91 |
| Redundancy | 4.2 | 3.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7 | 277 | 60% Tacsimate, 100mM bis-tris, pH 7.0, VAPOR DIFFUSION, temperature 277K |
