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 |