2R0W
PFA2 FAB complexed with Abeta1-8
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | ADSC QUANTUM 315 |
Spacegroup name | P 1 |
Unit cell lengths | 42.793, 43.327, 58.456 |
Unit cell angles | 92.51, 94.96, 90.55 |
Refinement procedure
Resolution | 42.640 - 2.503 |
R-factor | 0.211 |
Rwork | 0.208 |
R-free | 0.27700 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.016 |
RMSD bond angle | 1.573 |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | MOLREP |
Refinement software | REFMAC (5.2.0007) |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.640 | 50.000 | 2.590 |
High resolution limit [Å] | 2.500 | 5.380 | 2.500 |
Rmerge | 0.071 | 0.031 | 0.473 |
Number of reflections | 13814 | ||
<I/σ(I)> | 10 | ||
Completeness [%] | 96.0 | 98.2 | 89.8 |
Redundancy | 1.9 | 1.9 | 1.8 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.3 | 295 | 25% PEG-MME 5000, 0.1 M OAc, pH 5.3, VAPOR DIFFUSION, temperature 295K |