6TV1

ATPase domain D3 of the EssC coupling protein from S. aureus USA300

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	BESSY BEAMLINE 14.1
Synchrotron site	BESSY
Beamline	14.1
Temperature [K]	100
Detector technology	PIXEL
Collection date	2016-02-15
Detector	DECTRIS PILATUS3 6M
Wavelength(s)	1.0332
Spacegroup name	P 43 21 2
Unit cell lengths	91.030, 91.030, 124.510
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	19.751 - 1.700
R-factor	0.1538
Rwork	0.153
R-free	0.17240
Structure solution method	SAD
Data scaling software	XDS
Phasing software	PHENIX (1.15.2_3472)
Refinement software	PHENIX (1.15.2_3472)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	19.751	1.740
High resolution limit [Å]	1.700	1.700
Rmerge	0.045	1.559
Rmeas	0.048	1.743
Rpim	0.016	0.533
Number of reflections	57937	4176
<I/σ(I)>	25.71	1.19
Completeness [%]	99.7	98.72
Redundancy	8.7	8.7
CC(1/2)	1.000	0.539

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	291	1,4-1,8 M ammonium citrate