6EJ3
BACE1 compound 23
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE ID29 |
| Synchrotron site | ESRF |
| Beamline | ID29 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2013-10-02 |
| Detector | DECTRIS PILATUS3 2M |
| Wavelength(s) | 0.976 |
| Spacegroup name | P 61 2 2 |
| Unit cell lengths | 102.889, 102.889, 170.110 |
| Unit cell angles | 90.00, 90.00, 120.00 |
Refinement procedure
| Resolution | 47.840 - 1.940 |
| R-factor | 0.195 |
| Rwork | 0.194 |
| R-free | 0.21700 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | in house structure |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.190 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | BUSTER |
| Refinement software | BUSTER (2.11.7) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 47.840 | 2.010 |
| High resolution limit [Å] | 1.940 | 1.940 |
| Rmerge | 0.209 | 4.350 |
| Rpim | 0.050 | 1.000 |
| Number of reflections | 40169 | |
| <I/σ(I)> | 10.1 | |
| Completeness [%] | 99.9 | |
| Redundancy | 19.1 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 293 | 11% PEG 6k, 100mM NaOAc pH 5.0 |
