3PN8
The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159
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 | 2010-10-20 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97942 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.890, 91.038, 98.563 |
| Unit cell angles | 90.00, 98.69, 90.00 |
Refinement procedure
| Resolution | 35.859 - 1.693 |
| R-factor | 0.1645 |
| Rwork | 0.163 |
| R-free | 0.19260 |
| Structure solution method | SAD |
| RMSD bond length | 0.006 |
| RMSD bond angle | 0.939 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | SHELXD |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 36.000 | 1.730 |
| High resolution limit [Å] | 1.700 | 1.700 |
| Rmerge | 0.115 | 0.710 |
| Number of reflections | 112307 | |
| <I/σ(I)> | 26.8 | 1.9 |
| Completeness [%] | 98.6 | 97.2 |
| Redundancy | 4.1 | 4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 289 | 0.2M Lithium Sulfate, 0.1M Tris:HCl, 40% (w/v) PEG 400, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
