6Y1M
Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47K mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P14 (MX2) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P14 (MX2) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2015-11-03 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.976300 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.942, 66.979, 66.083 |
| Unit cell angles | 90.00, 107.54, 90.00 |
Refinement procedure
| Resolution | 28.510 - 2.000 |
| R-factor | 0.1847 |
| Rwork | 0.182 |
| R-free | 0.23020 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xzc |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.348 |
| Data reduction software | XDS |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 28.510 | 2.072 |
| High resolution limit [Å] | 2.000 | 2.000 |
| Number of reflections | 29559 | 2923 |
| <I/σ(I)> | 11.1 | |
| Completeness [%] | 98.8 | |
| Redundancy | 4.1 | |
| CC(1/2) | 0.998 | 0.512 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 0.1M ADA, pH 7.5 0.17M MgCl2 20% PEG 6K |
