6EJA
Human Xylosyltransferase 1 in complex with peptide QEEEYSGGGQGG
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 | 2017-06-23 |
| Detector | DECTRIS PILATUS3 6M |
| Wavelength(s) | 0.9763 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 66.560, 85.960, 151.220 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 40.184 - 1.940 |
| R-factor | 0.1858 |
| Rwork | 0.184 |
| R-free | 0.21250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gam |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.631 |
| Data reduction software | xia2 |
| Data scaling software | Aimless (0.5.32) |
| Phasing software | PHASER |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.480 | 43.480 | 1.990 |
| High resolution limit [Å] | 1.940 | 8.680 | 1.940 |
| Rmerge | 0.077 | 0.039 | 1.219 |
| Rmeas | 0.087 | 0.045 | 1.393 |
| Rpim | 0.041 | 0.021 | 0.661 |
| Total number of observations | 267755 | ||
| Number of reflections | 64274 | 762 | 4703 |
| <I/σ(I)> | 8.7 | ||
| Completeness [%] | 99.0 | 93.4 | 99.5 |
| Redundancy | 4.2 | 3.7 | 4.1 |
| CC(1/2) | 0.998 | 0.997 | 0.577 |
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 0.1M of NPS mix (0.033M of each) |
