4ZSR
BACE crystal structure with tricyclic aminothiazine inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-02-06 |
| Detector | ADSC QUANTUM 210r |
| Wavelength(s) | 0.97931 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.546, 89.795, 131.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 74.114 - 1.650 |
| R-factor | 0.18765 |
| Rwork | 0.188 |
| R-free | 0.20348 |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.440 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.7.0017) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 74.114 |
| High resolution limit [Å] | 1.650 |
| Number of reflections | 124205 |
| <I/σ(I)> | 12.4 |
| Completeness [%] | 99.9 |
| Redundancy | 7.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 277 | PEG8000, sodium cacodylate, ammonium sulfate |
