8QY2
Xylanase from Bacillus circulans mutant E78Q/F125A
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 | I 41 2 2 |
Unit cell lengths | 78.714, 78.714, 131.998 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.580 - 1.700 |
R-factor | 0.19164 |
Rwork | 0.191 |
R-free | 0.21380 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.008 |
RMSD bond angle | 1.476 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0419) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.580 | 1.730 |
High resolution limit [Å] | 1.700 | 1.700 |
Number of reflections | 23035 | 1149 |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.4 | |
Redundancy | 1.9 | |
CC(1/2) | 0.999 | 0.655 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 22.5 %v/v PEGSB, 0.2 M LiSO4, 0.05 M Zn Acet, 0.1 M BIS-TRIS pH 7.5 |