6QE8
Crystal structure of Aspergillus niger GH11 endoxylanase XynA in complex with xylobiose epoxide activity based probe
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | DIAMOND BEAMLINE I03 |
| Synchrotron site | Diamond |
| Beamline | I03 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2018-02-05 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.976220 |
| Spacegroup name | P 65 2 2 |
| Unit cell lengths | 67.508, 67.508, 165.752 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.770 - 1.790 |
| R-factor | 0.17901 |
| Rwork | 0.177 |
| R-free | 0.22259 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qz2 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.658 |
| Data reduction software | xia2 |
| Data scaling software | xia2 |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.770 | 1.830 |
| High resolution limit [Å] | 1.790 | 1.790 |
| Rpim | 0.033 | 0.743 |
| Number of reflections | 21974 | 1280 |
| <I/σ(I)> | 12.8 | 1.2 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 23.3 | 23.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.1 M MES pH 5.5, 0.1 M NaCl, 1.8 M (NH4)2SO4 |
