7T4Z

Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in ligand-free form

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX2
Synchrotron site	Australian Synchrotron
Beamline	MX2
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-08-15
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	C 2 2 21
Unit cell lengths	106.492, 128.908, 67.687
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	46.680 - 1.780
R-factor	0.1884
Rwork	0.187
R-free	0.21090
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atg
RMSD bond length	0.008
RMSD bond angle	0.970
Data reduction software	XDS
Data scaling software	Aimless
Phasing software	PHENIX
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	46.680	1.820
High resolution limit [Å]	1.780	1.780
Rmerge	0.067	0.518
Rmeas	0.073	0.562
Rpim	0.028	0.214
Number of reflections	44640	2473
<I/σ(I)>	16.7	3.5
Completeness [%]	99.9	98.2
Redundancy	6.8
CC(1/2)	0.999	0.896

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	3.5	293.15	0.1 M sodium citrate pH 3.5, 2.0 M ammonium sulfate, 25% v/v glycerol