2QU3
BACE1 with Compound 2
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E+ SUPERBRIGHT |
| Detector technology | CCD |
| Collection date | 2005-01-01 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.088, 103.844, 50.023 |
| Unit cell angles | 90.00, 95.29, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.000 |
| R-factor | 0.235 |
| Rwork | 0.235 |
| R-free | 0.25800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.012 |
| RMSD bond angle | 2.000 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.950 |
| High resolution limit [Å] | 2.000 |
| Number of reflections | 22290 |
| Completeness [%] | 90.0 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.4 | 100 mM NaAcetate pH 5.4, 6% PEG 3350, VAPOR DIFFUSION, HANGING DROP |
