6P7R
Crystal structure of unsaturated fatty acid bound wild-type ToxT from Vibrio cholerae strain SCE256
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | NSLS-II BEAMLINE 17-ID-2 |
Synchrotron site | NSLS-II |
Beamline | 17-ID-2 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2017-08-11 |
Detector | DECTRIS EIGER X 16M |
Wavelength(s) | 0.979 |
Spacegroup name | C 1 2 1 |
Unit cell lengths | 79.351, 47.128, 74.558 |
Unit cell angles | 90.00, 98.17, 90.00 |
Refinement procedure
Resolution | 28.300 - 1.800 |
R-factor | 0.1814 |
Rwork | 0.178 |
R-free | 0.22180 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 3gbg |
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] | 28.300 | 1.864 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.054 | 0.517 |
Rmeas | 0.061 | 0.597 |
Rpim | 0.030 | 0.295 |
Number of reflections | 26994 | 1786 |
<I/σ(I)> | 13 | 2.07 |
Completeness [%] | 99.4 | 99.92 |
Redundancy | 4.1 | 4 |
CC(1/2) | 0.998 | 0.780 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 293 | 0.2 M Sodium citrate tribasic dihydrate, 20% w/v Polyethylene glycol 3,350 |