5ZQX
Crystal structure of beta-xylosidase mutant (E186Q) from Bacillus pumilus
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | PAL/PLS BEAMLINE 7A (6B, 6C1) |
Synchrotron site | PAL/PLS |
Beamline | 7A (6B, 6C1) |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2017-05-29 |
Detector | ADSC QUANTUM 270 |
Wavelength(s) | 0.97934 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 103.259, 104.776, 113.163 |
Unit cell angles | 90.00, 111.13, 90.00 |
Refinement procedure
Resolution | 30.700 - 2.000 |
R-factor | 0.1721 |
Rwork | 0.170 |
R-free | 0.21420 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5zqj |
RMSD bond length | 0.004 |
RMSD bond angle | 0.713 |
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 | 2.030 |
High resolution limit [Å] | 2.000 | 2.000 |
Rmerge | 0.071 | 0.334 |
Rmeas | 0.079 | 0.399 |
Rpim | 0.033 | 0.211 |
Number of reflections | 143588 | 6694 |
<I/σ(I)> | 16.64 | 2.84 |
Completeness [%] | 94.6 | 88.7 |
Redundancy | 4.4 | 2.8 |
CC(1/2) | 0.644 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 287 | 0.05M HEPES (pH 7.5), 20%(w/v) PEG 3350, 1%(w/v) tryptone, and 30mM xylobiose |