6UJ0
Unbound BACE2 mutant structure
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 77 |
| Detector technology | PIXEL |
| Collection date | 2016-04-18 |
| Detector | DECTRIS PILATUS3 R CdTe 300K |
| Wavelength(s) | 0.9793 |
| Spacegroup name | P 1 |
| Unit cell lengths | 46.603, 58.982, 84.555 |
| Unit cell angles | 113.39, 93.67, 96.38 |
Refinement procedure
| Resolution | 28.040 - 2.150 |
| R-factor | 0.2218 |
| Rwork | 0.220 |
| R-free | 0.25780 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2ewy |
| RMSD bond length | 0.008 |
| RMSD bond angle | 0.846 |
| Data reduction software | iMOSFLM |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.16_3549) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 50.000 | 2.200 |
| High resolution limit [Å] | 2.140 | 2.150 |
| Rpim | 0.069 | 0.372 |
| Number of reflections | 43513 | 4122 |
| <I/σ(I)> | 17.7 | 2.5 |
| Completeness [%] | 97.0 | |
| Redundancy | 2.2 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 6 | 298 | 0.1 M MES, pH = 6 1.26 M (NH4)2SO4 |
