6OD6
Structure of BACE-1 in complex with Ligand 13
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-10-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99986 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 232.398, 100.391, 64.606 |
| Unit cell angles | 90.00, 103.67, 90.00 |
Refinement procedure
| Resolution | 48.255 - 2.000 |
| R-factor | 0.2233 |
| Rwork | 0.223 |
| R-free | 0.24780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.003 |
| RMSD bond angle | 0.701 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | MOLREP |
| Refinement software | PHENIX ((1.14_3260: ???)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 112.910 | 2.190 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.028 | 0.406 |
| Number of reflections | 97044 | 22722 |
| <I/σ(I)> | 9.6 | 1.9 |
| Completeness [%] | 97.8 | 98.1 |
| Redundancy | 2.9 | 2.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6.25 | 293 | 17% PEG-4000, 0.1M MES |
