6GEF

X-ray structure of the Yersinia pseudotuberculosis ATPase DotB

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	DIAMOND BEAMLINE I24
Synchrotron site	Diamond
Beamline	I24
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-09-28
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	0.97626
Spacegroup name	P 1
Unit cell lengths	83.040, 93.560, 109.920
Unit cell angles	103.90, 101.98, 99.94

Refinement procedure

Resolution	40.560 - 2.750
R-factor	0.2567
Rwork	0.255
R-free	0.29620
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	2ewv 5fl3
RMSD bond length	0.013
RMSD bond angle	1.151
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]	40.570	2.850
High resolution limit [Å]	2.750	2.750
Number of reflections	77292
<I/σ(I)>	10.33
Completeness [%]	97.8
Redundancy	3.49

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		289	0.1M Na/Cacodylate buffer pH5.5 and 12% PEG 8000