4FCO
Crystal structure of bace1 with its inhibitor
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U |
| Synchrotron site | SSRF |
| Beamline | BL17U |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2011-03-23 |
| Detector | ADSC QUANTUM 315r |
| Wavelength(s) | 0.97915 |
| Spacegroup name | C 2 2 21 |
| Unit cell lengths | 104.440, 128.420, 76.270 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 43.088 - 1.760 |
| R-factor | 0.1636 |
| Rwork | 0.163 |
| R-free | 0.18310 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.118 |
| Data reduction software | XDS |
| Data scaling software | XSCALE |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.7_650) |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 43.090 | 1.810 | |
| High resolution limit [Å] | 1.760 | 7.870 | 1.760 |
| Rmerge | 0.112 | 0.094 | 0.533 |
| Number of reflections | 51092 | ||
| <I/σ(I)> | 23.46 | 58.33 | 5.27 |
| Completeness [%] | 99.9 | 98.8 | 99.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 293 | 1.7 M Li2SO4/100 mM HEPES, pH 7.5, vapor diffusion, hanging drop, temperature 293K |
