4MVL
Crystal structure of an engineered lipocalin (Anticalin H1GA) in complex with the Alzheimer amyloid peptide Abeta1-40
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | BESSY BEAMLINE 14.1 |
| Synchrotron site | BESSY |
| Beamline | 14.1 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2010-12-02 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.91841 |
| Spacegroup name | P 21 21 21 |
| Unit cell lengths | 79.300, 79.180, 142.590 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 71.295 - 2.300 |
| R-factor | 0.219 |
| Rwork | 0.219 |
| R-free | 0.27940 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4gh7 |
| RMSD bond length | 0.006 |
| RMSD bond angle | 1.024 |
| Data reduction software | MOSFLM |
| Data scaling software | SCALA (3.3.16) |
| Phasing software | PHASER |
| Refinement software | REFMAC |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 71.295 | 39.650 | 2.420 |
| High resolution limit [Å] | 2.300 | 7.270 | 2.300 |
| Rmerge | 0.058 | 0.224 | |
| Total number of observations | 9220 | 30455 | |
| Number of reflections | 39966 | ||
| <I/σ(I)> | 13.9 | 8.9 | 3.4 |
| Completeness [%] | 98.4 | 99.4 | 95.3 |
| Redundancy | 5.9 | 6.4 | 5.5 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 24 % (w/v) PEG 3350, pH 8.0, VAPOR DIFFUSION, HANGING DROP, temperature 293K |
