6FGY
Crystal Structure of Human BACE-1 in Complex with amino-1,4-oxazine compound 4
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-02-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.056, 76.738, 104.214 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 61.790 - 1.540 |
| Rwork | 0.204 |
| R-free | 0.22600 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS (August 18, 2006) |
| Data scaling software | XSCALE (August 18, 2006) |
| Phasing software | CNX (2002) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 61.790 | 1.590 |
| High resolution limit [Å] | 1.540 | 1.540 |
| Rmerge | 0.052 | 0.477 |
| Rmeas | 0.058 | 0.032 |
| Number of reflections | 57667 | 419 |
| <I/σ(I)> | 16.23 | 2.74 |
| Completeness [%] | 99.7 | 99.5 |
| Redundancy | 5.25 | 4.04 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 15% PEG 1,500 in water |
