4PTW
Halothermothrix orenii beta-glucosidase A, 2-deoxy-2-fluoro-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 | 88.983, 97.540, 109.616 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.780 - 2.000 |
| R-factor | 0.1792 |
| Rwork | 0.177 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3ta9 |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.065 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.8.2_1309)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.781 | 2.100 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 64629 | |
| <I/σ(I)> | 12.4 | 1.9 |
| Completeness [%] | 99.3 | 98.8 |
| Redundancy | 7.3 | 7.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 298 | sodium cacodylate, sodium acetate, PEG 3350, pH 6.5, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
