7UO3
Co-crystal structure of Salmonella Typhimurium Tlde1a in complex with D-alanine
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | SYNCHROTRON |
Source details | CLSI BEAMLINE 08B1-1 |
Synchrotron site | CLSI |
Beamline | 08B1-1 |
Temperature [K] | 100 |
Detector technology | PIXEL |
Collection date | 2021-02-04 |
Detector | DECTRIS PILATUS3 S 6M |
Wavelength(s) | 1.1806 |
Spacegroup name | P 41 21 2 |
Unit cell lengths | 60.140, 60.140, 105.699 |
Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
Resolution | 39.700 - 1.800 |
R-factor | 0.1749 |
Rwork | 0.173 |
R-free | 0.20880 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 7uma |
Data reduction software | XDS |
Data scaling software | Aimless |
Phasing software | PHASER |
Refinement software | PHENIX (1.20.1_4487) |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 42.530 | 1.840 |
High resolution limit [Å] | 1.800 | 1.800 |
Rmerge | 0.185 | 1.693 |
Number of reflections | 18721 | 1081 |
<I/σ(I)> | 9.1 | |
Completeness [%] | 100.0 | |
Redundancy | 12 | |
CC(1/2) | 0.993 | 0.343 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | VAPOR DIFFUSION, SITTING DROP | 277.15 | 12mg/ml Tlde1a, 15% PEG 3350, 0.2M Ammonium sulphate, Soaked with 300mM D-alanine for 2 mins |