7ZLL
Catalytic domain of UDP-Glucose Glycoprotein Glucosyltransferase from Chaetomium thermophilum in complex with the 5-[(morpholin-4-yl)methyl]quinolin-8-ol inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | DIAMOND BEAMLINE I04 |
Synchrotron site | Diamond |
Beamline | I04 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-02-19 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.97950 |
Spacegroup name | H 3 |
Unit cell lengths | 118.858, 118.858, 68.551 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 29.710 - 1.649 |
R-factor | 0.2103 |
Rwork | 0.209 |
R-free | 0.23470 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6fsn |
RMSD bond length | 0.008 |
RMSD bond angle | 0.930 |
Data reduction software | XDS (VERSION Jan 10, 2022) |
Data scaling software | Aimless (0.7.7) |
Phasing software | MOLREP (11.7.03) |
Refinement software | BUSTER (2.10.4 (3-FEB-2022)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 41.158 | 1.744 |
High resolution limit [Å] | 1.649 | 1.649 |
Rmerge | 0.046 | 1.596 |
Rmeas | 0.048 | 1.665 |
Rpim | 0.015 | 0.507 |
Number of reflections | 38495 | 1925 |
<I/σ(I)> | 20.8 | 1.3 |
Completeness [%] | 88.4 | 28.7 |
Redundancy | 10.5 | 10.9 |
CC(1/2) | 1.000 | 0.581 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 291 | 0.06M Divalents, 0.1 M Buffer System 1, 30% v/v Precipitant Mix 1 (Morpheus screen condition 1-1), 10 mM 5-[(morpholin-4-yl)methyl]quinolin-8-ol in DMSO |