2HIZ
Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 17-ID |
| Synchrotron site | APS |
| Beamline | 17-ID |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2001-06-30 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.00 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.240, 104.090, 100.950 |
| Unit cell angles | 90.00, 103.46, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.500 |
| Rwork | 0.214 |
| R-free | 0.25300 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 1.504 |
| Data reduction software | DENZO |
| Data scaling software | SCALEPACK |
| Refinement software | CNS |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 50.000 | 50.000 | 2.590 |
| High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
| Rmerge | 0.060 | 0.024 | 0.346 |
| Number of reflections | 51993 | ||
| <I/σ(I)> | 10.9 | ||
| Completeness [%] | 91.3 | 99.1 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 1.0M ammonium phosphate, 0.1M ammonium citrate pH 5.6, 293 K |
