3HW1
Structure of Bace (beta secretase) in complex with ligand EV2
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) | 0.9999 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 230.625, 99.880, 62.900 |
| Unit cell angles | 90.00, 103.12, 90.00 |
Refinement procedure
| Resolution | 48.800 - 2.480 |
| R-factor | 0.226 |
| Rwork | 0.226 |
| R-free | 0.28115 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2b8l |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.210 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Refinement software | REFMAC (5.2.0005) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 48.800 | 2.570 |
| High resolution limit [Å] | 2.480 | 2.480 |
| Rmerge | 0.047 | 0.657 |
| Number of reflections | 48552 | |
| <I/σ(I)> | 14.82 | 3.01 |
| Completeness [%] | 98.3 | 96.2 |
| Redundancy | 3.3 | 3.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 295 | 10% PEG 4000, 100mM MES pH 6.0, VAPOR DIFFUSION, temperature 295K |
