7ZG5

The crystal structure of Salmonella TacAT3-DNA complex

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	2018-07-28
Detector	DECTRIS EIGER2 XE 16M
Wavelength(s)	0.976250
Spacegroup name	C 2 2 21
Unit cell lengths	79.617, 120.096, 172.027
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.390 - 2.000
R-factor	0.2171
Rwork	0.215
R-free	0.25790
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6g96
Data reduction software	autoPROC
Data scaling software	autoPROC
Phasing software	PHASER
Refinement software	PHENIX (1.19.2_4158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	86.014	2.020
High resolution limit [Å]	1.985	1.985
Rmerge	0.163	2.654
Rmeas	0.170	2.767
Rpim	0.048	0.773
Number of reflections	57175	2815
<I/σ(I)>	8.7
Completeness [%]	100.0	99.96
Redundancy	12.8	12.76
CC(1/2)	0.988	0.407

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7	277	0.08M NaCl, 0.02M BaCl, 0.04M Sodium cacodylate pH 7.0, 40% MPD, 0.012M Spermine tetrahydrochloride