3VEU
Crystal Structure of Human Beta Secretase in Complex with NVP-AVI326
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2011-02-27 |
| Detector | PSI PILATUS 6M |
| Wavelength(s) | 1.00000 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 48.486, 73.643, 103.917 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 51.960 - 1.520 |
| R-factor | 0.187 |
| Rwork | 0.186 |
| R-free | 0.20000 |
| Structure solution method | FOURIER SYNTHESIS |
| RMSD bond length | 0.004 |
| RMSD bond angle | 0.900 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | CNX (2002) |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 73.640 | 1.570 | |
| High resolution limit [Å] | 1.520 | 8.030 | 1.520 |
| Rmerge | 0.046 | 0.017 | 0.532 |
| Number of reflections | 57587 | 456 | 5219 |
| <I/σ(I)> | 23.32 | 70.4 | 3.49 |
| Completeness [%] | 99.2 | 98.9 | 98.4 |
| Redundancy | 6.5 | 6.1 | 6.6 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 6 | 292 | 15% PEG 1,500, pH 6.0, VAPOR DIFFUSION, HANGING DROP, temperature 292K |
