6Y1L
Crystal structure of the paraoxon-modified A.17 antibody FAB fragment - L47R mutant
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | PETRA III, EMBL c/o DESY BEAMLINE P13 (MX1) |
| Synchrotron site | PETRA III, EMBL c/o DESY |
| Beamline | P13 (MX1) |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2012-12-19 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 1.03320 |
| Spacegroup name | P 1 21 1 |
| Unit cell lengths | 52.723, 66.750, 66.220 |
| Unit cell angles | 90.00, 107.52, 90.00 |
Refinement procedure
| Resolution | 29.507 - 1.400 |
| R-factor | 0.1722 |
| Rwork | 0.171 |
| R-free | 0.19990 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 2xza |
| RMSD bond length | 0.012 |
| RMSD bond angle | 1.437 |
| Data reduction software | XDS |
| Data scaling software | Aimless |
| Phasing software | PHASES |
| Refinement software | PHENIX (1.9_1692) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 29.510 | 1.420 |
| High resolution limit [Å] | 1.400 | 1.400 |
| Number of reflections | 83469 | 15949 |
| <I/σ(I)> | 13.6 | |
| Completeness [%] | 96.9 | |
| Redundancy | 4.2 | |
| CC(1/2) | 0.999 | 0.688 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 8 | 293 | 0.1M ADA, pH 7.5 0.3M MgCl2 12% PEG 6K |
