6BFD
BACE crystal structure with hydroxy pyrrolidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 17-ID |
Synchrotron site | APS |
Beamline | 17-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2003-01-01 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.987 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.460, 89.410, 131.410 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.150 - 1.620 |
R-factor | 0.173 |
Rwork | 0.173 |
R-free | 0.19600 |
RMSD bond length | 0.011 |
RMSD bond angle | 1.100 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEIT |
Phasing software | CNX |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.620 |
Number of reflections | 127386 |
<I/σ(I)> | 15.4 |
Completeness [%] | 97.8 |
Redundancy | 6.7 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 276 | 16% PEG8000, 0.2 M ammonium sulfate, 0.1 M sodium cacodylate, pH 7.4 |