5MBW
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH Pep#3
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 | 2013-10-17 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | F 2 3 |
| Unit cell lengths | 206.833, 206.833, 206.833 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 47.450 - 2.950 |
| R-factor | 0.16548 |
| Rwork | 0.163 |
| R-free | 0.21553 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.013 |
| RMSD bond angle | 1.656 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.8.0048) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.450 | 3.130 |
| High resolution limit [Å] | 2.950 | 2.950 |
| Rpim | 0.073 | |
| Number of reflections | 1554 | |
| <I/σ(I)> | 10.2 | 1.4 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 20.2 | 21 |
| CC(1/2) | 0.996 | 0.545 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 273 | 0.1M sodium chloride, 0.1M HEPES, 1.6M ammonium sulfate, 0.098M HEGA-9 |
