3L38
Bace1 in complex with the aminopyridine Compound 44
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ALS BEAMLINE 5.0.1 |
| Synchrotron site | ALS |
| Beamline | 5.0.1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2003-10-14 |
| Detector | BRUKER SMART 6000 |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.253, 103.687, 49.983 |
| Unit cell angles | 90.00, 95.04, 90.00 |
Refinement procedure
| Resolution | 19.927 - 2.100 |
| R-factor | 0.213 |
| Rwork | 0.211 |
| R-free | 0.24570 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1W50.pdb |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.937 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | AMoRE |
| Refinement software | PHENIX ((phenix.refine: 1.5_2)) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 20.000 |
| High resolution limit [Å] | 2.100 |
| Number of reflections | 19839 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 291 | VAPOR DIFFUSION, HANGING DROP, temperature 291K |
