6UVV
BACE-1 in complex with compound #17
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | APS BEAMLINE 31-ID |
| Synchrotron site | APS |
| Beamline | 31-ID |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-04-16 |
| Detector | RAYONIX MX225HE |
| Wavelength(s) | 0.91986 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 86.288, 90.043, 130.948 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 30.000 - 1.630 |
| R-factor | 0.1414 |
| Rwork | 0.141 |
| R-free | 0.18620 |
| Structure solution method | FOURIER SYNTHESIS |
| Starting model (for MR) | 6bfe |
| RMSD bond length | 0.008 |
| RMSD bond angle | 1.366 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA |
| Phasing software | REFMAC |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 99.990 | 1.720 |
| High resolution limit [Å] | 1.630 | 1.630 |
| Rmerge | 0.141 | 0.652 |
| Number of reflections | 127280 | 18307 |
| <I/σ(I)> | 7.1 | 1.9 |
| Completeness [%] | 99.9 | |
| Redundancy | 6.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 7.4 | 277 | 100mM Sodium Cacodylate pH 7.4, 12% PEG 8K, 200mM Ammonium Sulfate |
