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 |