9BA9
O-GlcNAcase (OGA) inhibitor complex for the Treatment of Alzheimer's Disease
This is a non-PDB format compatible entry.
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2012-12-07 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 41 21 2 |
| Unit cell lengths | 133.261, 133.261, 114.236 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 2.750 |
| R-factor | 0.2194 |
| Rwork | 0.217 |
| R-free | 0.26023 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 1.009 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 53.000 | 2.900 |
| High resolution limit [Å] | 2.750 | 2.750 |
| Rmerge | 0.103 | 0.536 |
| Number of reflections | 27328 | 3932 |
| <I/σ(I)> | 4.6 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 8.6 | 8.8 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 281 | 33% PEG 300, 100mM Hepes pH 8.5 |
