2QU2
BACE1 with Compound 1
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 | 72.916, 104.845, 50.483 |
| Unit cell angles | 90.00, 95.00, 90.00 |
Refinement procedure
| Resolution | 19.950 - 2.600 |
| R-factor | 0.218 |
| Rwork | 0.218 |
| R-free | 0.26600 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.900 |
| Refinement software | CNS (1.1) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 19.950 |
| High resolution limit [Å] | 2.600 |
| Number of reflections | 11263 |
| Completeness [%] | 96.7 |
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 |
