3ZKM
BACE2 FAB 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 | 2009-04-13 |
| Detector | MARRESEARCH |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 67.944, 161.101, 163.233 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 44.860 - 1.850 |
| R-factor | 0.21249 |
| Rwork | 0.211 |
| R-free | 0.24545 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | PDB ENTRIES 2EWY 2aju |
| RMSD bond length | 0.011 |
| RMSD bond angle | 1.437 |
| 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] | 44.900 | 1.890 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.070 | 0.410 |
| Number of reflections | 139962 | |
| <I/σ(I)> | 9.8 | 1.9 |
| Completeness [%] | 84.3 | 52.7 |
| Redundancy | 2.9 | 1.4 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 7.5 | 0.2M LIS04, 0.1M HEPES PH7.5, 25% PEG3350 |
