2FDP
Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL1-5 |
| Synchrotron site | SSRL |
| Beamline | BL1-5 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Wavelength(s) | 1.0 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.189, 102.188, 99.530 |
| Unit cell angles | 90.00, 103.21, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| R-factor | 0.227 |
| Rwork | 0.225 |
| R-free | 0.25400 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | previously refined model |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.860 |
| Data scaling software | d*TREK |
| Refinement software | REFMAC (5.1.19) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.790 | 2.590 |
| High resolution limit [Å] | 2.500 | 2.500 |
| Rmerge | 0.080 | 0.450 |
| Number of reflections | 54657 | |
| <I/σ(I)> | 10.2 | 2.5 |
| Completeness [%] | 99.9 | 100 |
| Redundancy | 3.7 | 3.69 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K |
