6WPA

Structure of AvaR1 bound to DNA half-site

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	100
Detector technology	CCD
Collection date	2018-04-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.978720
Spacegroup name	P 42
Unit cell lengths	130.522, 130.522, 180.649
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	25.000 - 3.090
R-factor	0.2131
Rwork	0.210
R-free	0.26460
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6wp7
RMSD bond length	0.007
RMSD bond angle	1.360
Data reduction software	HKL-2000
Data scaling software	autoPROC
Phasing software	PHENIX
Refinement software	REFMAC (5.8.0158)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	25.000	3.200
High resolution limit [Å]	3.080	3.090
Rmerge	0.077
Rmeas	0.079
Rpim	0.021	0.338
Number of reflections	55544	5510
<I/σ(I)>	25.9
Completeness [%]	100.0
Redundancy	15.1
CC(1/2)	0.999	0.999

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6.5	277	0.2 M Potassium chloride, 0.01 M Magnesium chloride hexahydrate, 0.05 M Sodium cacodylate trihydrate pH 6.5, 10% w/v Polyethylene glycol 4000 with additive 40 % Formamide