7T5A

Crystal structure of the molybdate-binding periplasmic protein ModA from the bacteria Pseudomonsa aeruginosa in tungstate-bound 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	2019-10-22
Detector	DECTRIS EIGER X 16M
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	46.115, 40.977, 111.038
Unit cell angles	90.00, 92.53, 90.00

Refinement procedure

Resolution	43.230 - 2.160
R-factor	0.2314
Rwork	0.230
R-free	0.26370
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atg
RMSD bond length	0.019
RMSD bond angle	1.305
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]	46.070	2.230
High resolution limit [Å]	2.160	2.160
Rmerge	0.179	0.866
Rmeas	0.193	0.940
Rpim	0.070	0.359
Number of reflections	22601	1945
<I/σ(I)>	9.5	2.3
Completeness [%]	99.8	99.5
Redundancy	7.4	6.5
CC(1/2)	0.994	0.715

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.1 M Tris-HCl pH 8.5, 2.2 M ammonium sulfate, 25% v/v glycerol