1W51
BACE (Beta Secretase) in complex with a nanomolar non-peptidic 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 4 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 102.351, 102.351, 168.000 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 39.200 - 2.550 |
| R-factor | 0.219 |
| Rwork | 0.216 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1w50 |
| RMSD bond length | 0.017 |
| RMSD bond angle | 1.681 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | AMoRE |
| Refinement software | REFMAC (5.1.29) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 39.000 | 2.690 |
| High resolution limit [Å] | 2.550 | 2.550 |
| Rmerge | 0.110 | 0.460 |
| Number of reflections | 16609 | |
| <I/σ(I)> | 4.5 | 1.6 |
| Completeness [%] | 99.6 | 99 |
| Redundancy | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 6.6 | pH 6.60 |
