6BFX
BACE crystal structure with hydroxy pyrrolidine inhibitor
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 | 2005-02-03 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.253, 91.321, 131.570 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 25.290 - 1.990 |
| R-factor | 0.198 |
| Rwork | 0.198 |
| R-free | 0.23300 |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.040 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | CNX |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 25.500 |
| High resolution limit [Å] | 1.780 |
| Number of reflections | 90639 |
| <I/σ(I)> | 4.4 |
| Completeness [%] | 92.7 |
| Redundancy | 7.4 |
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 |
