7R3W

Crystal structure of the albicidin resistance protein STM3175 from Salmonella typhimurium

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.2
Synchrotron site	BESSY
Beamline	14.2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2021-12-10
Detector	DECTRIS PILATUS 2M
Wavelength(s)	0.91841
Spacegroup name	C 2 2 21
Unit cell lengths	120.650, 244.920, 139.320
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.420 - 3.600
R-factor	0.2702
Rwork	0.268
R-free	0.31450
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	The search model was computed by the Robetta Server
RMSD bond length	0.003
RMSD bond angle	0.685
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	30.000	3.820
High resolution limit [Å]	3.600	3.600
Rmeas	0.233	1.969
Number of reflections	24093	3804
<I/σ(I)>	8.17	0.98
Completeness [%]	99.5	99.2
Redundancy	5.6	5.9
CC(1/2)	0.996	0.460

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		277	0.1 M magnesium formate