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 |