7T51

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

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	AUSTRALIAN SYNCHROTRON BEAMLINE MX1
Synchrotron site	Australian Synchrotron
Beamline	MX1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2019-09-21
Detector	DECTRIS EIGER2 X 9M
Wavelength(s)	0.954
Spacegroup name	P 1 21 1
Unit cell lengths	45.528, 40.898, 111.090
Unit cell angles	90.00, 92.54, 90.00

Refinement procedure

Resolution	45.480 - 2.500
R-factor	0.2601
Rwork	0.259
R-free	0.28860
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	1atg
RMSD bond length	0.008
RMSD bond angle	1.232
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]	45.480	2.600
High resolution limit [Å]	2.500	2.500
Rmerge	0.082	0.249
Rmeas	0.099	0.307
Rpim	0.054	0.177
Number of reflections	13730	1155
<I/σ(I)>	10.6	3.8
Completeness [%]	94.7	71.5
Redundancy	3.2	2.4
CC(1/2)	0.993	0.906

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, 2.1 M ammonium sulfate, 25% v/v glycerol
1	VAPOR DIFFUSION, HANGING DROP	8.5	293.15	0.1 M Tris-HCl pH 8.5, 2.1 M ammonium sulfate, 25% v/v glycerol