2HM1
Crystal Structure of human beta-secretase (BACE) in the presence of an inhibitor (2)
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 | 2001-12-16 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 1.0000 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 72.990, 104.880, 50.060 |
| Unit cell angles | 90.00, 94.99, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| Rwork | 0.204 |
| R-free | 0.25100 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.385 |
| 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 | 2.280 |
| High resolution limit [Å] | 2.200 | 4.740 | 2.200 |
| Rmerge | 0.064 | 0.043 | 0.141 |
| Number of reflections | 18026 | ||
| <I/σ(I)> | 11.3 | ||
| Completeness [%] | 94.0 | 95.1 | 73.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | Hanging drop, 14-26 % PEG 750MME, sodium acetate pH 4.6-5.2, 293 |
