3ZKI
BACE2 MUTANT STRUCTURE WITH LIGAND
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 | 2009-06-14 |
| Detector | MARRESEARCH |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 47.310, 89.249, 98.850 |
| Unit cell angles | 90.00, 96.96, 90.00 |
Refinement procedure
| Resolution | 49.060 - 2.400 |
| R-factor | 0.18561 |
| Rwork | 0.183 |
| R-free | 0.24059 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 3zkg |
| RMSD bond length | 0.009 |
| RMSD bond angle | 1.434 |
| Data reduction software | XDS |
| Data scaling software | SADABS |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.7.0029) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 49.100 | 2.500 |
| High resolution limit [Å] | 2.400 | 2.400 |
| Rmerge | 0.080 | 0.440 |
| Number of reflections | 31592 | |
| <I/σ(I)> | 10.4 | 2.2 |
| Completeness [%] | 98.6 | 99.7 |
| Redundancy | 2.54 | 2.53 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | 8 | 0.1M TRIS PH8.0, 25% PEG3350 |
