6EJB
Human Xylosyltransferase 1 in complex with peptide QEEEGSAGGQGG
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 | 67.475, 86.694, 152.642 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 76.321 - 2.557 |
R-factor | 0.2412 |
Rwork | 0.239 |
R-free | 0.27950 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2gam |
RMSD bond length | 0.002 |
RMSD bond angle | 0.475 |
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] | 76.420 | 76.420 | 2.630 |
High resolution limit [Å] | 2.557 | 11.450 | 2.560 |
Rmerge | 0.203 | 0.081 | 1.278 |
Rmeas | 0.233 | 0.091 | 1.486 |
Rpim | 0.112 | 0.041 | 0.742 |
Number of reflections | 29622 | 407 | 2167 |
<I/σ(I)> | 4.6 | ||
Completeness [%] | 100.0 | 99.9 | 100 |
Redundancy | 4.3 | 4 | 4.1 |
CC(1/2) | 0.971 | 0.992 | 0.473 |
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) |