8BOZ
structure of the Adherent-Invasive Escherichia coli Tle3/Tli3 T6SS effector/immunity complex
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | SOLEIL BEAMLINE PROXIMA 2 |
Synchrotron site | SOLEIL |
Beamline | PROXIMA 2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2016-02-04 |
Detector | DECTRIS PILATUS 6M |
Wavelength(s) | 0.9791 |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.860, 449.070, 116.230 |
Unit cell angles | 90.00, 93.18, 90.00 |
Refinement procedure
Resolution | 48.740 - 3.600 |
R-factor | 0.2344 |
Rwork | 0.233 |
R-free | 0.26810 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | AlphaFold model |
RMSD bond length | 0.003 |
RMSD bond angle | 0.591 |
Data reduction software | XDS |
Data scaling software | XSCALE |
Phasing software | MOLREP |
Refinement software | PHENIX ((1.19.2_4158: ???)) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 48.750 | 3.640 |
High resolution limit [Å] | 3.600 | 3.600 |
Number of reflections | 78970 | 5814 |
<I/σ(I)> | 4.5 | |
Completeness [%] | 98.9 | |
Redundancy | 3.9 | |
CC(1/2) | 0.976 | 0.383 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 6.5 | 293 | Tle3AIEC-Tli3AIEC crystals were obtained using a reservoir solution consisting of 20% v/v PEG 3350. Bis Tris propane pH 6.5, 0.2 M sodium acetate trihydrate after 44 days at 293 K. |