3NSH
BACE-1 in complex with ELN475957
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | ROTATING ANODE |
| Source details | RIGAKU MICROMAX-007 HF |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-02-26 |
| Detector | RIGAKU SATURN 944+ |
| Wavelength(s) | 1.5418 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 82.155, 104.592, 100.155 |
| Unit cell angles | 90.00, 104.50, 90.00 |
Refinement procedure
| Resolution | 20.000 - 2.200 |
| R-factor | 0.23298 |
| Rwork | 0.231 |
| R-free | 0.27896 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.022 |
| RMSD bond angle | 2.055 |
| Data reduction software | d*TREK |
| Data scaling software | d*TREK |
| Phasing software | MOLREP |
| Refinement software | REFMAC (5.5.0102) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 70.000 | 2.310 |
| High resolution limit [Å] | 2.200 | 2.200 |
| Rmerge | 0.065 | 0.430 |
| Number of reflections | 80263 | |
| <I/σ(I)> | 1 | |
| Completeness [%] | 96.0 | 96 |
| Redundancy | 3.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, SITTING DROP | 5.35 | 298 | 0.1M sodium acetate, 2% PEG8000, pH 5.35, VAPOR DIFFUSION, SITTING DROP, temperature 298K |
