2B8L
Crystal structure of human beta secretase complexed with inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Temperature [K] | 193 |
Detector technology | IMAGE PLATE |
Detector | RIGAKU RAXIS IV |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 104.678, 127.917, 76.122 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 6.000 - 1.700 |
R-factor | 0.23 |
Rwork | 0.220 |
R-free | 0.25200 |
Structure solution method | SAD |
Starting model (for MR) | 1tfq |
RMSD bond length | 0.006 |
RMSD bond angle | 1.400 |
Data reduction software | HKL-2000 |
Data scaling software | SCALEPACK |
Phasing software | CNX |
Refinement software | CNX |
Data quality characteristics
Overall | |
Low resolution limit [Å] | 50.000 |
High resolution limit [Å] | 1.700 |
Rmerge | 0.067 |
Number of reflections | 53390 |
<I/σ(I)> | 17.8 |
Completeness [%] | 94.8 |
Redundancy | 3.5 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 7.5 | 293 | 1.5M LITHIUM SULFATE, 0.1M HEPES BUFFER, pH 7.5, VAPOR DIFFUSION, SITTING DROP, temperature 293K |