4R7O
Crystal Structure of Putative Glycerophosphoryl Diester Phosphodiesterasefrom Bacillus anthraci
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 | 2012-08-03 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97937 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 209.644, 85.891, 191.539 |
| Unit cell angles | 90.00, 121.33, 90.00 |
Refinement procedure
| Resolution | 37.696 - 2.534 |
| R-factor | 0.155 |
| Rwork | 0.154 |
| R-free | 0.20400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2p76 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.077 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((phenix.refine: dev_1745)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.550 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Number of reflections | 95660 | |
| <I/σ(I)> | 22.4 | 2.8 |
| Completeness [%] | 99.1 | 97.4 |
| Redundancy | 3.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2 M litium sulfate, 0.1 M Tris pH 8.5, 30 %(w/v) PEG 4000, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
