1YM4
Crystal structure of human beta secretase complexed with NVP-AMK640
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 | 2002-12-19 |
| Detector | MARRESEARCH |
| Wavelength(s) | 0.855064 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 223.678, 107.751, 61.475 |
| Unit cell angles | 90.00, 100.32, 90.00 |
Refinement procedure
| Resolution | 96.770 - 2.250 |
| R-factor | 0.245 |
| Rwork | 0.240 |
| R-free | 0.28800 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.300 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2000.1) |
| Refinement software | CNX (2002) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 100.000 | 2.330 |
| High resolution limit [Å] | 2.250 | 2.250 |
| Rmerge | 0.083 | 0.290 |
| Number of reflections | 68076 | |
| <I/σ(I)> | 6.7 | |
| Completeness [%] | 98.5 | 89 |
| Redundancy | 5.1 | 4.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.4 | 292 | PEG 8000, potassium chloride, 1,2-propanediol, pH 7.4, VAPOR DIFFUSION, HANGING DROP, temperature 292.0K |
