8QXZ
Xylanase from Bacillus circulans mutant E78Q/Y69A
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 | 79.345, 79.345, 133.171 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 68.260 - 1.500 |
R-factor | 0.15522 |
Rwork | 0.154 |
R-free | 0.18320 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.558 |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0411) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 68.260 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 68694 | 3352 |
<I/σ(I)> | 13.2 | |
Completeness [%] | 100.0 | |
Redundancy | 1.9 | |
CC(1/2) | 0.999 | 0.849 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 291 | 10 %v/v PEGSB, 0.2 M LiSO4, BIS-TRIS, pH 7.5 |