8Q8I
AO75L in complex with a synthetic trisaccharide acceptor.
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | ALBA BEAMLINE XALOC |
Synchrotron site | ALBA |
Beamline | XALOC |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2020-07-03 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.979181 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 126.579, 50.456, 51.543 |
Unit cell angles | 90.00, 96.32, 90.00 |
Refinement procedure
Resolution | 62.900 - 1.770 |
R-factor | 0.2241 |
Rwork | 0.222 |
R-free | 0.27060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.002 |
RMSD bond angle | 0.468 |
Data reduction software | XDS |
Data scaling software | autoPROC |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.18_3855: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 62.900 | 2.110 |
High resolution limit [Å] | 1.769 | 1.796 |
Number of reflections | 12052 | 604 |
<I/σ(I)> | 5.4 | |
Completeness [%] | 85.2 | |
Redundancy | 4.9 | |
CC(1/2) | 0.986 | 0.626 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.1 | 291 | 0.1M TRIS; 0.1M BICINE, pH 8.1 37.5% Morpheus Precipitant mix4 0.03M CaCl2;0.03M MgCl2 |