5E1H
Ricin toxin in complex with neutralizing single chain monoclonal antibodies (VHHs)
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-E |
Synchrotron site | APS |
Beamline | 21-ID-E |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2015-07-01 |
Detector | ADSC QUANTUM 315 |
Wavelength(s) | 0.979 |
Spacegroup name | C 2 2 21 |
Unit cell lengths | 88.472, 91.775, 95.143 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 45.888 - 2.032 |
R-factor | 0.2052 |
Rwork | 0.204 |
R-free | 0.25670 |
Structure solution method | MOLECULAR REPLACEMENT |
RMSD bond length | 0.006 |
RMSD bond angle | 1.048 |
Data reduction software | HKL-2000 |
Data scaling software | HKL-2000 |
Phasing software | PHASER (2.5.6) |
Refinement software | PHENIX |
Data quality characteristics
Overall | Inner shell | Outer shell | |
Low resolution limit [Å] | 50.000 | 50.000 | 2.070 |
High resolution limit [Å] | 2.030 | 5.510 | 2.030 |
Rmerge | 0.148 | 0.084 | |
Rmeas | 0.152 | 0.093 | |
Rpim | 0.092 | 0.038 | |
Total number of observations | 148336 | ||
Number of reflections | 24972 | ||
<I/σ(I)> | 4 | ||
Completeness [%] | 98.7 | 98.7 | 96.8 |
Redundancy | 5.9 | 6 | 5.1 |
CC(1/2) | 0.992 | 0.226 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION | 5.5 | 293 | 100 mM BisTris pH 5.5, 25% PEG 3000, 260 mM NaCl, and 10 mM Tris (2carboxyethyl)phosphine hydrochloride |