3BUH
BACE-1 complexed with compound 4
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06SA |
Synchrotron site | SLS |
Beamline | X06SA |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Spacegroup name | P 61 2 2 |
Unit cell lengths | 102.491, 102.491, 170.063 |
Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
Resolution | 48.800 - 2.300 |
R-factor | 0.20134 |
Rwork | 0.199 |
R-free | 0.23784 |
Structure solution method | FOURIER SYNTHESIS |
RMSD bond length | 0.008 |
RMSD bond angle | 1.058 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Refinement software | REFMAC |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.380 |
High resolution limit [Å] | 2.300 | 2.300 |
Number of reflections | 24169 | |
<I/σ(I)> | 27.1 | 4.2 |
Completeness [%] | 98.6 | 98.6 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7 | 298 | 2.5M SODIUM FORMATE, 100MM HEPES, pH 7.00, VAPOR DIFFUSION, HANGING DROP, temperature 298K |