6EJE
Human Xylosyltransferase 1 in complex with peptide PAAEGSGEQDFT
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 | 67.280, 86.720, 153.470 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.619 - 2.430 |
| R-factor | 0.1991 |
| Rwork | 0.197 |
| R-free | 0.23490 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2gak |
| RMSD bond length | 0.002 |
| RMSD bond angle | 0.506 |
| 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] | 67.280 | 67.280 | 2.490 |
| High resolution limit [Å] | 2.430 | 10.870 | 2.430 |
| Rmerge | 0.120 | 0.033 | 0.986 |
| Rmeas | 0.137 | 0.038 | 1.116 |
| Rpim | 0.063 | 0.018 | 0.514 |
| Total number of observations | 147667 | ||
| Number of reflections | 34088 | 429 | 2529 |
| <I/σ(I)> | 9.3 | ||
| Completeness [%] | 98.8 | 94.4 | 99.6 |
| Redundancy | 4.3 | 4 | 4.4 |
| CC(1/2) | 0.996 | 0.999 | 0.580 |
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) |
