4B70
Aminoimidazoles as BACE-1 Inhibitors: From De Novo Design to Ab- lowering in Brain
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Temperature [K] | 100 |
Detector technology | IMAGE PLATE |
Collection date | 2011-12-07 |
Detector | RIGAKU R-AXIS HTC |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.630, 75.220, 104.900 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 29.750 - 1.600 |
R-factor | 0.2448 |
Rwork | 0.243 |
R-free | 0.28060 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.010 |
RMSD bond angle | 1.130 |
Data reduction software | MOSFLM |
Data scaling software | SCALA |
Phasing software | PHASER |
Refinement software | BUSTER (2.11.1) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 30.560 | 1.640 |
High resolution limit [Å] | 1.600 | 1.600 |
Rmerge | 0.060 | 0.550 |
Number of reflections | 46458 | |
<I/σ(I)> | 7.7 | 1.5 |
Completeness [%] | 90.5 | 90.6 |
Redundancy | 3.7 | 2.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | 7 | pH 7 |