2OAH
Crystal Structure of Human Beta Secretase Complexed with inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU RU300 |
| Temperature [K] | 100 |
| Detector technology | IMAGE PLATE |
| Detector | RIGAKU RAXIS IV |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.755, 126.986, 76.411 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 6.000 - 1.800 |
| Rwork | 0.217 |
| R-free | 0.23800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1tqf |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.400 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | CNX (2002) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.900 | 1.860 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.071 | 0.300 |
| Number of reflections | 47573 | |
| <I/σ(I)> | 15.1 | 4.5 |
| Completeness [%] | 99.8 | 99.8 |
| Redundancy | 5.8 | 5.29 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 273 | 1.5M LITHIUM SULFATE, 0.1M HEPES BUFFER, VAPOR DIFFUSION, SITTING DROP, TEMPERATURE 293K, PH 7.50. Crystals were grown with L124671 and L304507 was back soak, temperature 273K |
