2B8L
Crystal structure of human beta secretase complexed with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Temperature [K] | 193 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.678, 127.917, 76.122 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.700 |
| R-factor | 0.23 |
| Rwork | 0.220 |
| R-free | 0.25200 |
| Structure solution method | SAD |
| Starting model (for MR) | 1tfq |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX |
| Refinement software | CNX |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 50.000 |
| High resolution limit [Å] | 1.700 |
| Rmerge | 0.067 |
| Number of reflections | 53390 |
| <I/σ(I)> | 17.8 |
| Completeness [%] | 94.8 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.5M LITHIUM SULFATE, 0.1M HEPES BUFFER, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |
