5MCO
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH ACTIVE SITE INHIBITOR GRL-8234 AND EXOSITE PEPTIDE
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 | 2013-04-09 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.0000 |
| Spacegroup name | P 32 2 1 |
| Unit cell lengths | 101.493, 101.493, 117.184 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 48.800 - 2.490 |
| R-factor | 0.17739 |
| Rwork | 0.175 |
| R-free | 0.22287 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in-house structure |
| RMSD bond length | 0.019 |
| RMSD bond angle | 2.060 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.620 |
| High resolution limit [Å] | 2.490 | 2.490 |
| Rpim | 0.071 | |
| Number of reflections | 24958 | |
| <I/σ(I)> | 9.9 | 1.9 |
| Completeness [%] | 100.0 | 100 |
| Redundancy | 9.6 | 9.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 4 | 295 | 0.1M ammonium acetate, 0.1M sodium acetate, 15% (w/v) PEG4000 |
