3R1G
Structure Basis of Allosteric Inhibition of BACE1 by an Exosite-Binding Antibody
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRL BEAMLINE BL7-1 |
| Synchrotron site | SSRL |
| Beamline | BL7-1 |
| Temperature [K] | 93 |
| Detector technology | CCD |
| Collection date | 2009-12-10 |
| Detector | ADSC QUANTUM 315 |
| Wavelength(s) | 0.98057 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 46.112, 75.537, 112.016 |
| Unit cell angles | 90.00, 99.82, 90.00 |
Refinement procedure
| Resolution | 44.791 - 2.800 |
| R-factor | 0.2243 |
| Rwork | 0.222 |
| R-free | 0.26830 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Data reduction software | HKL-2000 |
| Data scaling software | HKL-2000 |
| Phasing software | PHASER |
| Refinement software | PHENIX ((phenix.refine: 1.6.4_486)) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.000 | 2.900 |
| High resolution limit [Å] | 2.800 | 2.800 |
| Number of reflections | 17490 | |
| <I/σ(I)> | 10.8 | 2 |
| Completeness [%] | 97.9 | 84.4 |
| Redundancy | 3.5 | 2.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 8.5 | 292 | 1 ul of the BACE1/Fab complex solution mixed with 1 ul of well solution containing 20% PEG 4000, 0.1M Tris, 0.2 M sodium acetate, pH 8.5, VAPOR DIFFUSION, SITTING DROP, temperature 292K |
