4LXK
Crystal Structure of Human Beta Secretase in Complex with compound 11d
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 | 2008-10-10 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.99998 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.291, 103.540, 100.428 |
| Unit cell angles | 90.00, 104.27, 90.00 |
Refinement procedure
| Resolution | 39.880 - 2.050 |
| R-factor | 0.2 |
| Rwork | 0.199 |
| R-free | 0.22400 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.800 |
| Data reduction software | HKL-2000 |
| Data scaling software | SCALEPACK |
| Phasing software | CNX (2002) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.120 |
| High resolution limit [Å] | 2.050 | 4.420 | 2.050 |
| Rmerge | 0.057 | 0.037 | 0.395 |
| Number of reflections | 102028 | ||
| <I/σ(I)> | 9.7 | ||
| Completeness [%] | 99.8 | 98 | 100 |
| Redundancy | 4.7 | 4.6 | 4.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 292 | 1.0M ammonium sulfate in water, pH 5.5, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
