4MVI
Crystal structure of an engineered lipocalin (Anticalin US7) in complex with the Alzheimer amyloid peptide Abeta(1-40)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | BESSY BEAMLINE 14.2 |
Synchrotron site | BESSY |
Beamline | 14.2 |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2010-05-18 |
Detector | MARMOSAIC 225 mm CCD |
Wavelength(s) | 0.91841 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 48.950, 58.930, 61.230 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 42.460 - 1.700 |
R-factor | 0.1687 |
Rwork | 0.169 |
R-free | 0.21230 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 4mvk |
RMSD bond length | 0.020 |
RMSD bond angle | 1.960 |
Data reduction software | MOSFLM |
Data scaling software | SCALA (3.3.16) |
Phasing software | MOLREP |
Refinement software | REFMAC |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 42.460 | 29.465 | 1.790 |
High resolution limit [Å] | 1.700 | 5.380 | 1.700 |
Rmerge | 0.024 | 0.245 | |
Total number of observations | 4259 | 19855 | |
Number of reflections | 20073 | ||
<I/σ(I)> | 20.3 | 25.5 | 3.1 |
Completeness [%] | 99.9 | 97.1 | 99.9 |
Redundancy | 6.9 | 6.1 | 6.9 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 5.25 | 293 | 30 % (w/v) PEG 4000, 100 mM sodium acetate, pH 5.25, VAPOR DIFFUSION, HANGING DROP, temperature 293K |