6EJ9
Human Xylosyltransferase 1 in complex with peptide QEPEGSGGGQGG
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 | 67.380, 86.820, 153.200 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 75.530 - 2.020 |
| R-factor | 0.2047 |
| Rwork | 0.204 |
| R-free | 0.22450 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gak |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.563 |
| 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] | 75.530 | 75.530 | 2.070 |
| High resolution limit [Å] | 2.020 | 9.030 | 2.020 |
| Rmerge | 0.107 | 0.022 | 1.148 |
| Rmeas | 0.122 | 0.026 | 1.307 |
| Rpim | 0.057 | 0.012 | 0.613 |
| Total number of observations | 253525 | 3033 | 19186 |
| Number of reflections | 59199 | 767 | 4372 |
| <I/σ(I)> | 10.9 | 36.6 | 1.4 |
| Completeness [%] | 99.2 | 98.7 | 99.6 |
| Redundancy | 4.3 | 4 | 4.4 |
| CC(1/2) | 0.997 | 0.999 | 0.761 |
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) |
