8R86
Xylanase from Bacillus circulans mutant E78Q/W71A
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ESRF BEAMLINE ID30B |
Synchrotron site | ESRF |
Beamline | ID30B |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2022-07-23 |
Detector | DECTRIS PILATUS 2M |
Wavelength(s) | 0.965459 |
Spacegroup name | P 1 |
Unit cell lengths | 39.787, 39.899, 53.653 |
Unit cell angles | 85.26, 81.43, 63.26 |
Refinement procedure
Resolution | 27.810 - 1.500 |
R-factor | 0.13898 |
Rwork | 0.137 |
R-free | 0.17302 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.009 |
RMSD bond angle | 1.511 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0352) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 27.810 | 1.530 |
High resolution limit [Å] | 1.500 | 1.500 |
Number of reflections | 42397 | 2153 |
<I/σ(I)> | 9.8 | |
Completeness [%] | 90.6 | |
Redundancy | 1.5 | |
CC(1/2) | 0.986 | 0.943 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 291 | 20.727 %v/v PEGSH, 0.1 M BICINE 8.81 pH |