6BFD
BACE crystal structure with hydroxy pyrrolidine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-01-01 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.460, 89.410, 131.410 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 45.150 - 1.620 |
| R-factor | 0.173 |
| Rwork | 0.173 |
| R-free | 0.19600 |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.100 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEIT |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.620 |
| Number of reflections | 127386 |
| <I/σ(I)> | 15.4 |
| Completeness [%] | 97.8 |
| Redundancy | 6.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 276 | 16% PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 7.4 |
