6GEB

X-ray structure of the Legionella pneumophila ATPase DotB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I03
Synchrotron site	Diamond
Beamline	I03
Temperature [K]	100
Detector technology	PIXEL
Collection date	2017-03-14
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.976250
Spacegroup name	P 1
Unit cell lengths	109.200, 109.300, 119.800
Unit cell angles	83.70, 86.60, 60.70

Refinement procedure

Resolution	36.040 - 3.190
R-factor	0.2345
Rwork	0.233
R-free	0.26130
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ewv 5fl3
RMSD bond length	0.016
RMSD bond angle	1.536
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	36.040	3.310
High resolution limit [Å]	3.190	3.190
Number of reflections	78104
<I/σ(I)>	6.95
Completeness [%]	98.0
Redundancy	3.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	1.2M of Na/K phosphate buffer pH 7.2