2EWY
Crystal structure of human BACE2 in complex with a hydroxyethylenamine transition-state inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2003-09-25 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.97935 |
| Spacegroup name | H 3 |
| Unit cell lengths | 228.407, 228.407, 108.964 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 24.920 - 3.100 |
| Rwork | 0.227 |
| R-free | 0.24700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1fkn |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.500 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | CNX (2000.1) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 25.500 | 3.160 |
| High resolution limit [Å] | 3.050 | 3.050 |
| Number of reflections | 39813 | |
| Completeness [%] | 99.0 | 98.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6.8 | 298 | 16% PEG 8000, 0.1M calcium chloride, 5% glycerol, pH 6.8, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
