7N4N
BACE-2 in complex with ligand 36
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2017-06-16 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 63.757, 74.492, 109.361 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.570 - 1.410 |
| Rwork | 0.163 |
| R-free | 0.20700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.014 |
| RMSD bond angle | 1.588 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.570 | 1.660 |
| High resolution limit [Å] | 1.410 | 1.410 |
| Rmerge | 0.039 | 0.483 |
| Rmeas | 0.050 | 0.624 |
| Number of reflections | 96877 | 37911 |
| <I/σ(I)> | 11.89 | 1.94 |
| Completeness [%] | 96.0 | 98 |
| Redundancy | 2.4 | 2.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 293 | 22.5% PEG-1500, 25 mM Bis-Tris Propane pH 7.0, 150 mM NaCl |
