8KE8

Crystal structure of TetR-type transcriptional factor NalC from P. aeruginosa

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	PAL/PLS BEAMLINE 5C (4A)
Synchrotron site	PAL/PLS
Beamline	5C (4A)
Temperature [K]	100
Detector technology	PIXEL
Collection date	2023-06-14
Detector	DECTRIS EIGER X 9M
Wavelength(s)	1.00003
Spacegroup name	P 61
Unit cell lengths	57.517, 57.517, 224.345
Unit cell angles	90.00, 90.00, 120.00

Refinement procedure

Resolution	19.670 - 2.050
R-factor	0.2129
Rwork	0.210
R-free	0.24920
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	AlphaFold
RMSD bond length	0.002
RMSD bond angle	0.531
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHASER
Refinement software	PHENIX ((1.19.1_4122: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.090
High resolution limit [Å]	2.050	2.050
Rmerge	0.061	0.361
Number of reflections	26116	1257
<I/σ(I)>	34.52
Completeness [%]	99.8
Redundancy	11.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	6.25	293	0.2 M Ammonium chloride, 0.1 M MES pH 6.25, 1.0 M Potassium sodium tartrate