3ZKN
BACE2 FAB INHIBITOR COMPLEX
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SLS BEAMLINE X10SA |
| Synchrotron site | SLS |
| Beamline | X10SA |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2009-05-20 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 81.929, 68.145, 160.855 |
| Unit cell angles | 90.00, 92.51, 90.00 |
Refinement procedure
| Resolution | 45.750 - 2.000 |
| R-factor | 0.20562 |
| Rwork | 0.203 |
| R-free | 0.25141 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zkm |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.384 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0027) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.700 | 2.050 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Rmerge | 0.080 | 0.560 |
| Number of reflections | 117848 | |
| <I/σ(I)> | 10.5 | 2 |
| Completeness [%] | 98.3 | 93.5 |
| Redundancy | 3.7 | 3.3 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M LIS04, 0.1M HEPES PH7.5, 25% PEG3350 |
