5KEZ
Selective and potent inhibition of the glycosidase human amylase by the short and extremely compact peptide piHA from mRNA display
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL12-2 |
| Synchrotron site | SSRL |
| Beamline | BL12-2 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2016-02-05 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03317 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 52.800, 75.840, 137.260 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 39.176 - 1.830 |
| R-factor | 0.179 |
| Rwork | 0.177 |
| R-free | 0.20800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4x9y |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.915 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.10.1_2155) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.176 | 1.900 |
| High resolution limit [Å] | 1.830 | 1.830 |
| Rmerge | 0.094 | 0.790 |
| Number of reflections | 49017 | |
| <I/σ(I)> | 14.5 | 1.94 |
| Completeness [%] | 99.0 | 99 |
| Redundancy | 5.7 | 4.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | EVAPORATION | 7.5 | 293 | 53%-57% MPD, 0.1 M Na Cacodylate, pH 7.5 |
