6Y4R

Cytoplasmic domain of TssL from Acinetobacter baumannii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALBA BEAMLINE XALOC
Synchrotron site	ALBA
Beamline	XALOC
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-03-04
Detector	DECTRIS PILATUS 6M
Wavelength(s)	1.07255
Spacegroup name	P 1 21 1
Unit cell lengths	96.845, 78.835, 96.968
Unit cell angles	90.00, 119.77, 90.00

Refinement procedure

Resolution	48.619 - 2.594
R-factor	0.2125
Rwork	0.209
R-free	0.26940
Structure solution method	AB INITIO PHASING
RMSD bond length	0.010
RMSD bond angle	1.248
Data reduction software	XDS
Data scaling software	Aimless (0.5.17)
Phasing software	MoRDa
Refinement software	PHENIX (v1.10)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	48.620	48.620	2.710
High resolution limit [Å]	2.590	8.980	2.590
Rmerge	0.126	0.038	0.527
Rmeas	0.153	0.046	0.650
Rpim	0.086	0.026	0.375
Total number of observations	109140	2573	11645
Number of reflections	37828	909	4386
<I/σ(I)>	6.8	18.2	1.9
Completeness [%]	95.8	90.9	90.6
Redundancy	2.9	2.8	2.7
CC(1/2)	0.991	0.997	0.846

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	10% PEG 6000, 10 mM MgCl2