1YM2
Crystal structure of human beta secretase complexed with NVP-AUR200
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X06SA |
| Synchrotron site | SLS |
| Beamline | X06SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2004-01-28 |
| Detector | MARRESEARCH |
| Wavelength(s) | 1.00033 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.261, 103.258, 100.621 |
| Unit cell angles | 90.00, 104.12, 90.00 |
Refinement procedure
| Resolution | 47.050 - 2.050 |
| R-factor | 0.215 |
| Rwork | 0.212 |
| R-free | 0.23700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.004 |
| RMSD bond angle | 1.200 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2002) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 2.050 |
| Rmerge | 0.047 | 0.485 |
| Number of reflections | 102160 | |
| <I/σ(I)> | 12.3 | |
| Completeness [%] | 99.9 | 99.8 |
| Redundancy | 6.4 | 6.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | Ammonium sulfate, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
