7KHS
OgOGA IN COMPLEX WITH LIGAND 55
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 | 2018-01-16 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.96862 |
Spacegroup name | P 1 2 1 |
Unit cell lengths | 105.231, 83.076, 122.964 |
Unit cell angles | 90.00, 90.25, 90.00 |
Refinement procedure
Resolution | 44.790 - 1.780 |
R-factor | 0.2734 |
Rwork | 0.273 |
R-free | 0.29610 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | previously solved O. granulosus O-GlcNAcase structure |
RMSD bond length | 0.015 |
RMSD bond angle | 1.725 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Refinement software | REFMAC (5.8.0155) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.790 | 2.040 |
High resolution limit [Å] | 1.780 | 1.780 |
Rmerge | 0.054 | 0.490 |
Rmeas | 0.071 | 0.639 |
Number of reflections | 176418 | 60543 |
<I/σ(I)> | 7.7 | 1.75 |
Completeness [%] | 88.4 | 94 |
Redundancy | 1.9 | 2 |
CC(1/2) | 0.998 | 0.681 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 8.75 | 293 | 22% PEG-4000, 0.15M MgCl2, 0.1M Tris |