6EJD
Human Xylosyltransferase 1 in complex with peptide QEEEGSGGPQGG
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 | 2017-03-11 |
| Detector | DECTRIS PILATUS 6M-F |
| Wavelength(s) | 0.9282 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.538, 87.346, 153.629 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.827 - 2.684 |
| R-factor | 0.2458 |
| Rwork | 0.244 |
| R-free | 0.27930 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gak |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.734 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.31) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 61.900 | 61.900 | 2.760 |
| High resolution limit [Å] | 2.690 | 12.030 | 2.690 |
| Rmerge | 0.227 | 0.087 | 1.085 |
| Rmeas | 0.258 | 0.099 | 1.248 |
| Rpim | 0.121 | 0.045 | 0.606 |
| Total number of observations | 110981 | 1401 | 7686 |
| Number of reflections | 26012 | 356 | 1871 |
| <I/σ(I)> | 4.1 | 6.6 | 1.3 |
| Completeness [%] | 100.0 | 99.6 | 100 |
| Redundancy | 4.3 | 3.9 | 4.1 |
| CC(1/2) | 0.965 | 0.991 | 0.515 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 293 | 55-65% Morpheus Precipitant mix 2 (PEG8000 and Ethylene glycol) 0.1M Bicine/Tris buffer at pH 7.5 0.1M of NPS mix (0.033M of each) |
