5MYX
Structure of Pyroglutamate-Abeta-specific Fab c#24 in complex with human Abeta-pE3-18
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 | 2012-09-19 |
| Detector | MARMOSAIC 225 mm CCD |
| Wavelength(s) | 0.9184 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 115.611, 95.935, 90.371 |
| Unit cell angles | 90.00, 101.17, 90.00 |
Refinement procedure
| Resolution | 47.967 - 1.492 |
| R-factor | 0.1821 |
| Rwork | 0.180 |
| R-free | 0.21290 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 1zea |
| RMSD bond length | 0.005 |
| RMSD bond angle | 0.832 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER (2.3.0) |
| Refinement software | PHENIX |
Data quality characteristics
| Overall | Inner shell | Outer shell | |
| Low resolution limit [Å] | 47.967 | 47.967 | 1.580 |
| High resolution limit [Å] | 1.490 | 4.460 | 1.490 |
| Rmerge | 0.047 | 0.016 | 0.644 |
| Rmeas | 0.054 | 0.019 | 0.743 |
| Number of reflections | 154382 | 6003 | 22804 |
| <I/σ(I)> | 18.95 | 64.03 | 2.17 |
| Completeness [%] | 98.3 | 99.6 | 90 |
| Redundancy | 4.191 | 4.181 | 4.055 |
| CC(1/2) | 0.999 | 1.000 | 0.718 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 5.5 | 286 | 20% w/v PEG 3000 100 mM sodium citrate pH 5.5 |
