2FDP
Crystal structure of beta-secretase complexed with an amino-ethylene inhibitor
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SSRL BEAMLINE BL1-5 |
Synchrotron site | SSRL |
Beamline | BL1-5 |
Temperature [K] | 100 |
Detector technology | CCD |
Wavelength(s) | 1.0 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 81.189, 102.188, 99.530 |
Unit cell angles | 90.00, 103.21, 90.00 |
Refinement procedure
Resolution | 20.000 - 2.500 |
R-factor | 0.227 |
Rwork | 0.225 |
R-free | 0.25400 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | previously refined model |
RMSD bond length | 0.005 |
RMSD bond angle | 0.860 |
Data scaling software | d*TREK |
Refinement software | REFMAC (5.1.19) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.790 | 2.590 |
High resolution limit [Å] | 2.500 | 2.500 |
Rmerge | 0.080 | 0.450 |
Number of reflections | 54657 | |
<I/σ(I)> | 10.2 | 2.5 |
Completeness [%] | 99.9 | 100 |
Redundancy | 3.7 | 3.69 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 298 | VAPOR DIFFUSION, HANGING DROP, temperature 298K |