4S1C
Crystal Structure of L. monocytogenes phosphodiesterase PgpH HD domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | NSLS BEAMLINE X25 |
| Synchrotron site | NSLS |
| Beamline | X25 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 1.075 |
| Spacegroup name | P 61 |
| Unit cell lengths | 116.562, 116.562, 91.783 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.600 - 2.398 |
| R-factor | 0.1881 |
| Rwork | 0.185 |
| R-free | 0.23100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.116 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 25.000 | 25.000 | 2.490 |
| High resolution limit [Å] | 2.398 | 5.160 | 2.400 |
| Rmerge | 0.121 | 0.090 | 0.406 |
| Number of reflections | 27548 | ||
| <I/σ(I)> | 10 | ||
| Completeness [%] | 98.7 | 99.3 | 97.9 |
| Redundancy | 3.8 | 3.8 | 3.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.5 | 293 | 0.2 M MgCl2, 0.1 M Bis-Tris, 25% PEG 3350, pH 6.5, temperature 293K, VAPOR DIFFUSION, HANGING DROP |
