8QY1
Xylanase from Bacillus circulans mutant E78Q/Y69A bound to xylohexaose
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-11-26 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.9795 |
Spacegroup name | P 43 21 2 |
Unit cell lengths | 78.050, 78.050, 133.510 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 51.060 - 1.900 |
R-factor | 0.19594 |
Rwork | 0.194 |
R-free | 0.23838 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.364 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0415) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 67.380 | 1.940 |
High resolution limit [Å] | 1.900 | 1.900 |
Number of reflections | 33254 | 2079 |
<I/σ(I)> | 6 | 1 |
Completeness [%] | 100.0 | 100 |
Redundancy | 1.9 | |
CC(1/2) | 0.996 | 0.649 |
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, 0.1 M BIS-TRIS 7.5 pH |