9EGI

Crystal Structure of EgtUC binding domain mutant T274G bound to L-Ergothioneine from S. pneumoniae

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 8.2.2
Synchrotron site	ALS
Beamline	8.2.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2024-05-16
Detector	DECTRIS PILATUS 2M
Wavelength(s)	1.00002
Spacegroup name	F 2 2 2
Unit cell lengths	120.153, 127.313, 206.655
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	51.940 - 1.950
R-factor	0.2025
Rwork	0.201
R-free	0.24340
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.009
RMSD bond angle	1.089
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]	51.940	2.220
High resolution limit [Å]	1.950	1.950
Rmeas	0.118	1.109
Rpim	0.046	0.489
Number of reflections	33902	1696
<I/σ(I)>	8.8	1.8
Completeness [%]	88.0
Redundancy	6.3	4.8
CC(1/2)	0.998	0.652

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	5.6	293	Sodium citrate tribasic pH 5.6, Potassium Sodium Tartrate 0.2 M and Ammonium Sulphate 1.6 - 2.0 M