5ZQS
Crystal structure of beta-xylosidase mutant (E186Q/F503Y) from Bacillus pumilus
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PAL/PLS BEAMLINE 5C (4A) |
| Synchrotron site | PAL/PLS |
| Beamline | 5C (4A) |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2017-12-12 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.97940 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 117.021, 103.437, 104.813 |
| Unit cell angles | 90.00, 123.08, 90.00 |
Refinement procedure
| Resolution | 35.633 - 1.782 |
| R-factor | 0.168 |
| Rwork | 0.166 |
| R-free | 0.20930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 5zqj |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.916 |
| Data reduction software | DENZO |
| Data scaling software | HKL-2000 |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.11.1-2575) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 1.810 |
| High resolution limit [Å] | 1.780 | 1.780 |
| Rmerge | 0.085 | 0.466 |
| Rmeas | 0.094 | 0.558 |
| Rpim | 0.038 | 0.298 |
| Number of reflections | 95015 | 4377 |
| <I/σ(I)> | 13.86 | 1.97 |
| Completeness [%] | 96.1 | 88.8 |
| Redundancy | 4.7 | 2.6 |
| CC(1/2) | 0.268 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 0.05 M HEPES (pH 7.5), 20% (w/v) PEG 3350, 1% (w/v) tryptone, and 30 mM xylobiose |
