3UDP
Crystal Structure of BACE with Compound 12
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU FR-E |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2008-11-18 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 74.504, 103.865, 98.462 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 24.750 - 1.950 |
| R-factor | 0.20454 |
| Rwork | 0.201 |
| R-free | 0.27546 |
| Structure solution method | RIGID BODY REFINEMENT |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.112 |
| Phasing software | autoBUSTER |
| Refinement software | REFMAC (5.4.0069) |
Data quality characteristics
| Overall | |
| Low resolution limit [Å] | 24.754 |
| High resolution limit [Å] | 1.947 |
| Number of reflections | 27069 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 298 | protein in sodium borate, pH 8.5, reservoir: 30% PEG200, 0.1 M sodium acetate, pH 5.2-5.4, VAPOR DIFFUSION, temperature 298K |
