7MTL
Crystal structure of colibactin self-resistance protein ClbS in complex with a dsDNA
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | APS BEAMLINE 21-ID-G |
Synchrotron site | APS |
Beamline | 21-ID-G |
Temperature [K] | 100 |
Detector technology | CCD |
Collection date | 2019-12-05 |
Detector | MARMOSAIC 300 mm CCD |
Wavelength(s) | 0.9787 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 42.783, 75.878, 178.326 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 46.793 - 2.446 |
R-factor | 0.2335 |
Rwork | 0.231 |
R-free | 0.28340 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6anr |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.13_2998) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 46.793 | 2.533 |
High resolution limit [Å] | 2.446 | 2.446 |
Number of reflections | 22255 | 2168 |
<I/σ(I)> | 11.79 | 1.44 |
Completeness [%] | 99.9 | 98.77 |
Redundancy | 6.6 | |
CC(1/2) | 0.998 | 0.755 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.2 M sodium acetate trihydrate pH 7.0, 20% (w/v) PEG 3350 |