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 |
