3HVG
Structure of bace (beta secretase) in Complex with EV0
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SLS BEAMLINE X06DA |
Synchrotron site | SLS |
Beamline | X06DA |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2008-01-15 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 1.000 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 232.550, 100.130, 64.780 |
Unit cell angles | 90.00, 103.73, 90.00 |
Refinement procedure
Resolution | 48.340 - 2.260 |
R-factor | 0.22456 |
Rwork | 0.222 |
R-free | 0.26487 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 2b8l |
RMSD bond length | 0.011 |
RMSD bond angle | 1.154 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | PHASER |
Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.340 | 2.440 |
High resolution limit [Å] | 2.250 | 2.250 |
Rmerge | 0.045 | 0.347 |
Number of reflections | 66428 | |
<I/σ(I)> | 13.26 | 2.65 |
Completeness [%] | 97.2 | 89.9 |
Redundancy | 3 | 2.3 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 6 | 293 | 10% PEG 4000, 100mM MES pH 6.0, VAPOR DIFFUSION, temperature 293K |