6Q8N
GH10 endo-xylanase in complex with xylobiose epoxide inhibitor
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 | 2014-04-24 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.968620 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.120, 75.750, 221.990 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 62.570 - 1.760 |
R-factor | 0.16886 |
Rwork | 0.167 |
R-free | 0.20473 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3u7b |
RMSD bond length | 0.011 |
RMSD bond angle | 1.750 |
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] | 62.570 | 1.790 |
High resolution limit [Å] | 1.760 | 1.760 |
Rpim | 0.044 | 0.690 |
Number of reflections | 81568 | 4016 |
<I/σ(I)> | 10.69 | 1.07 |
Completeness [%] | 100.0 | |
Redundancy | 7.95 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | Sodium/potassium phosphate (pH 6.9). Co-crystallisation with xylobiose epoxide inhibitor. |