7MTT
Crystal structure of colibactin self-resistance protein ClbS in complex with two molecules of CHES
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) | 1.033 |
Spacegroup name | P 21 21 21 |
Unit cell lengths | 50.545, 60.173, 66.497 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 44.620 - 1.850 |
R-factor | 0.1922 |
Rwork | 0.190 |
R-free | 0.23130 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 6anr |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.18.2-3874) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 44.620 | 1.915 |
High resolution limit [Å] | 1.850 | 1.850 |
Number of reflections | 17844 | 1713 |
<I/σ(I)> | 19.4 | |
Completeness [%] | 99.6 | |
Redundancy | 6.4 | |
CC(1/2) | 0.999 | 0.961 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277 | 0.1 M CHES, pH 9.5, and 20% (w/v) PEG 8000 |