6NRU
Crystal Structure of the Alpha-ribazole Phosphatase from Shigella flexneri
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 | 2011-12-09 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.9796 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.518, 308.038, 97.167 |
| Unit cell angles | 90.00, 90.10, 90.00 |
Refinement procedure
| Resolution | 45.393 - 2.505 |
| R-factor | 0.1825 |
| Rwork | 0.179 |
| R-free | 0.21820 |
| Structure solution method | SAD |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.553 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | HKL-3000 |
| Refinement software | PHENIX ((1.13_2998: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.540 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.096 | 0.408 |
| Number of reflections | 104835 | 5159 |
| <I/σ(I)> | 21.4 | 3.6 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 5.1 | 5.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.9 | 289 | 1 M lithium sulfate, 2 %(w/v) PEG8000 |
