6Q7J
GH3 exo-beta-xylosidase (XlnD) in complex with xylobiose aziridine activity based probe
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 | 2017-09-09 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.97951 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 70.398, 91.579, 245.059 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.260 - 2.140 |
R-factor | 0.19923 |
Rwork | 0.196 |
R-free | 0.26799 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.007 |
RMSD bond angle | 1.633 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | MOLREP |
Refinement software | REFMAC (5.8.0238) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.260 | 2.180 |
High resolution limit [Å] | 2.140 | 2.140 |
Rmerge | 0.262 | |
Rpim | 0.097 | |
Number of reflections | 88380 | |
<I/σ(I)> | 4.4 | 0.9 |
Completeness [%] | 100.0 | |
Redundancy | 8.2 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Halogens NaF; NaBr; NaI; imidazole/MES pH 6.5, PEG550/PEG20K. |