3ZMG
CRYSTAL STRUCTURE OF BACE-1 IN COMPLEX WITH CHEMICAL LIGAND
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 | 2010-03-12 |
| Detector | DECTRIS PILATUS 6M |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 102.519, 102.519, 171.805 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 49.120 - 1.740 |
| R-factor | 0.17678 |
| Rwork | 0.175 |
| R-free | 0.20256 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | IN HOUSE STRUCTURES |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.453 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.120 | 1.840 |
| High resolution limit [Å] | 1.740 | 1.740 |
| Rmerge | 0.110 | 0.800 |
| Number of reflections | 55318 | |
| <I/σ(I)> | 16.27 | 1.78 |
| Completeness [%] | 99.9 | 99.9 |
| Redundancy | 13.08 | 13.26 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7 | 298 | 2.5M SODIUM FORMATE, 100MM HEPES, PH 7.0, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 298K |
