6EJ7
Human Xylosyltransferase 1 in complex with UDP-xylose and peptide QEEEGAGGGQGG
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04-1 |
Synchrotron site | Diamond |
Beamline | I04-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-01-21 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.9282 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 67.460, 86.890, 152.910 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.455 - 2.000 |
R-factor | 0.2001 |
Rwork | 0.199 |
R-free | 0.22980 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gak |
RMSD bond length | 0.003 |
RMSD bond angle | 0.556 |
Data reduction software | xia2 |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 86.890 | 86.890 | 2.050 |
High resolution limit [Å] | 2.000 | 8.940 | 2.000 |
Rmerge | 0.183 | 0.035 | 1.785 |
Rmeas | 0.198 | 0.038 | 1.937 |
Rpim | 0.077 | 0.014 | 0.745 |
Total number of observations | 400825 | ||
Number of reflections | 61497 | 805 | 4462 |
<I/σ(I)> | 9 | ||
Completeness [%] | 99.9 | 99.9 | 100 |
Redundancy | 6.5 | 6 | 6.7 |
CC(1/2) | 0.996 | 0.999 | 0.649 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 55-65% Morpheus precipitant mix 2 (PEG8000 and ethylene glycol), 0.1M Bicine/Tris buffer at pH 7.5 0.1 M of Morpheus NPS mix. |