8QY3
Xylanase from Bacillus circulans mutant E78Q/F125A bound to xylotriose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE MASSIF-1 |
Synchrotron site | ESRF |
Beamline | MASSIF-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-23 |
Detector | DECTRIS PILATUS3 2M |
Wavelength(s) | 0.97 |
Spacegroup name | I 41 2 2 |
Unit cell lengths | 80.838, 80.838, 131.543 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 43.180 - 1.240 |
R-factor | 0.19709 |
Rwork | 0.195 |
R-free | 0.22986 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.626 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 43.180 | 1.260 |
High resolution limit [Å] | 1.240 | 1.240 |
Number of reflections | 61224 | 2953 |
<I/σ(I)> | 7.9 | |
Completeness [%] | 99.1 | |
Redundancy | 1.9 | |
CC(1/2) | 0.998 | 0.612 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 22.5 %v/v PEGSB, 0.2 M LiSO4, 0.05 M Zn Acetate, 0.1 M BIS-TRIS, pH 7.5 |