4F66
The crystal structure of 6-phospho-beta-glucosidase from Streptococcus mutans UA159 in complex with beta-D-glucose-6-phosphate.
Replaces: 4DDEExperimental 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 | 2011-11-09 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97918 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 58.665, 92.449, 94.351 |
| Unit cell angles | 90.00, 101.32, 90.00 |
Refinement procedure
| Resolution | 25.077 - 1.479 |
| R-factor | 0.1629 |
| Rwork | 0.162 |
| R-free | 0.18530 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | : 3PN8 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.060 |
| 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] | 25.200 | 1.510 |
| High resolution limit [Å] | 1.480 | 1.480 |
| Rmerge | 0.067 | 0.589 |
| Number of reflections | 163713 | |
| <I/σ(I)> | 27.1 | 1.92 |
| Completeness [%] | 99.7 | 96.5 |
| Redundancy | 4.6 | 3.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 289 | 0.2M Sodium format, 20% (w/v) PEG3350, pH 7.0, VAPOR DIFFUSION, SITTING DROP, temperature 289K |
