4GPN
The crystal structure of 6-P-beta-D-Glucosidase (E375Q mutant) from Streptococcus mutans UA150 in complex with Gentiobiose 6-phosphate.
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 | 2012-03-05 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.220, 91.796, 94.225 |
| Unit cell angles | 90.00, 102.23, 90.00 |
Refinement procedure
| Resolution | 46.000 - 2.291 |
| R-factor | 0.18 |
| Rwork | 0.177 |
| R-free | 0.23890 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3pn8 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.016 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((phenix.refine: 1.7.1_743)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.000 | 2.340 |
| High resolution limit [Å] | 2.291 | 2.300 |
| Rmerge | 0.122 | 0.652 |
| Number of reflections | 43091 | |
| <I/σ(I)> | 13.7 | 1.7 |
| Completeness [%] | 99.1 | 96.4 |
| Redundancy | 3.4 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 289 | 0.2M NaCl, 0.1M Bis-Tris:HCl, 25% (w/v) PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
