5E97
Glycoside Hydrolase ligand structure 1
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 | 2015-08-06 |
Detector | DECTRIS PILATUS 6M-F |
Wavelength(s) | 0.979 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 45.880, 70.890, 78.230 |
Unit cell angles | 90.00, 94.91, 90.00 |
Refinement procedure
Resolution | 38.420 - 1.630 |
R-factor | 0.16733 |
Rwork | 0.166 |
R-free | 0.19677 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 5e8m |
RMSD bond length | 0.014 |
RMSD bond angle | 1.671 |
Data reduction software | XDS |
Data scaling software | Aimless |
Refinement software | REFMAC (5.8.0131) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 38.420 | 1.670 |
High resolution limit [Å] | 1.630 | 1.640 |
Rmerge | 0.610 | |
Number of reflections | 61989 | |
<I/σ(I)> | 11.7 | |
Completeness [%] | 99.5 | |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 5.5 | 293 | 0.1 M MES [5.5] 0.1 M MgCl2 17% PEG3350 |