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 |