6BFW
BACE crystal structure with hydroxy morpholine 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 | IMAGE PLATE |
| Collection date | 2004-11-08 |
| Detector | MAR scanner 345 mm plate |
| Wavelength(s) | 0.987 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 54.300, 86.130, 109.420 |
| Unit cell angles | 90.00, 100.95, 90.00 |
Refinement procedure
| Resolution | 21.590 - 1.840 |
| R-factor | 0.184 |
| Rwork | 0.184 |
| R-free | 0.20600 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.030 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.840 |
| Number of reflections | 80447 |
| <I/σ(I)> | 9.1 |
| Completeness [%] | 94.0 |
| Redundancy | 2.7 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 277 | 17% PEG 8000, 0.2M ammonium sulfate, 0.1M sodium cacodylate, pH 7.4 |
