4PTX
Halothermothrix orenii beta-glucosidase A, glucose complex
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID14-4 |
| Synchrotron site | ESRF |
| Beamline | ID14-4 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-07-02 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.93935 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 89.446, 97.878, 109.875 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 46.810 - 1.800 |
| R-factor | 0.1837 |
| Rwork | 0.183 |
| R-free | 0.22500 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ta9 |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.075 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.4_1496)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 46.813 | 1.900 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Number of reflections | 88436 | |
| <I/σ(I)> | 14 | 1.4 |
| Completeness [%] | 98.4 | 97.2 |
| Redundancy | 7.4 | 7.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 298 | sodium cacodylate, MgCl2, PEG 3350, pH 5.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
