6EJ8
Human Xylosyltransferase 1 in complex with peptide QEEEGSGGGQGG
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 | 67.310, 86.680, 152.850 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 57.325 - 2.090 |
| R-factor | 0.196 |
| Rwork | 0.195 |
| R-free | 0.22310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gak |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.538 |
| Data reduction software | XDS |
| 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] | 57.330 | 57.330 | 2.140 |
| High resolution limit [Å] | 2.090 | 9.350 | 2.090 |
| Rmerge | 0.134 | 0.030 | 1.266 |
| Rmeas | 0.148 | 0.034 | 1.393 |
| Rpim | 0.063 | 0.015 | 0.574 |
| Total number of observations | 292129 | ||
| Number of reflections | 53618 | 685 | 3915 |
| <I/σ(I)> | 8.9 | ||
| Completeness [%] | 99.8 | 98.3 | 99.9 |
| Redundancy | 5.4 | 4.7 | 5.7 |
| CC(1/2) | 0.996 | 0.999 | 0.587 |
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) |
