3EFX
Novel binding site identified in a hybrid between cholera toxin and heat-labile enterotoxin, 1.9A crystal structure reveals the details
Replaces: 2NZGReplaces: 1TL0Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | MAX II BEAMLINE I711 |
Synchrotron site | MAX II |
Beamline | I711 |
Temperature [K] | 100 |
Detector technology | CCD |
Detector | MAR CCD 165 mm |
Wavelength(s) | 0.97 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 110.200, 70.100, 137.400 |
Unit cell angles | 90.00, 92.90, 90.00 |
Refinement procedure
Resolution | 19.440 - 1.940 |
R-factor | 0.18359 |
Rwork | 0.181 |
R-free | 0.23179 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1eei |
RMSD bond length | 0.012 |
RMSD bond angle | 1.387 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | AMoRE |
Refinement software | REFMAC (5.2.0019) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 19.440 | 1.990 |
High resolution limit [Å] | 1.940 | 1.940 |
Rmerge | 0.056 | |
Number of reflections | 74812 | |
<I/σ(I)> | 19.6 | |
Completeness [%] | 96.0 | 92.94 |
Redundancy | 5.4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 23-24% PEG 3350, 0.25-0.3M CALCIUM CHLORIDE, 20% GLYCEROL, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K |
1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 23-24% PEG 3350, 0.25-0.3M CALCIUM CHLORIDE, 20% GLYCEROL, pH 7.50, VAPOR DIFFUSION, HANGING DROP, temperature 298K |