6BFX
BACE crystal structure with hydroxy pyrrolidine inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 31-ID |
Synchrotron site | APS |
Beamline | 31-ID |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2005-02-03 |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97931 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 86.253, 91.321, 131.570 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 25.290 - 1.990 |
R-factor | 0.198 |
Rwork | 0.198 |
R-free | 0.23300 |
RMSD bond length | 0.009 |
RMSD bond angle | 1.040 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | CNX |
Refinement software | BUSTER (2.11.7) |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 25.500 |
High resolution limit [Å] | 1.780 |
Number of reflections | 90639 |
<I/σ(I)> | 4.4 |
Completeness [%] | 92.7 |
Redundancy | 7.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 277 | 17% PEG 8000, 0.2M ammonium sulfate, 0.1M sodium cacodylate |