3TPP
Crystal structure of BACE1 complexed with an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID23-2 |
| Synchrotron site | ESRF |
| Beamline | ID23-2 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-03-08 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.873 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.548, 128.202, 76.535 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.166 - 1.600 |
| R-factor | 0.1551 |
| Rwork | 0.154 |
| R-free | 0.18010 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2qp8 |
| RMSD bond length | 0.028 |
| RMSD bond angle | 2.319 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | MOLREP |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 81.000 |
| High resolution limit [Å] | 1.600 |
| Number of reflections | 68069 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.5-1.8M Li2SO4, 100mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 293K |
