9CHL

P. vulgaris tetrameric HigBA- operator 2 DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 24-ID-C
Synchrotron site	APS
Beamline	24-ID-C
Temperature [K]	100
Detector technology	PIXEL
Collection date	2015-08-15
Detector	DECTRIS PILATUS 6M-F
Wavelength(s)	0.9792
Spacegroup name	C 1 2 1
Unit cell lengths	98.150, 98.130, 147.190
Unit cell angles	90.00, 109.49, 90.00

Refinement procedure

Resolution	67.300 - 2.400
Rwork	0.175
R-free	0.22110
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	4mcx
Data reduction software	XDS
Data scaling software	XSCALE
Phasing software	PHASER
Refinement software	PHENIX (1.17.1)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	67.300	67.300	2.500
High resolution limit [Å]	2.400	35.000	2.400
Rmerge	0.066	0.094	0.465
Rmeas	0.081	0.117	0.620
Number of reflections	98818	24	11151
<I/σ(I)>	9.13	21.8	1.76
Completeness [%]	97.5	92.3	95
Redundancy	2.777	2.958	2.056
CC(1/2)	0.993	0.983	0.798

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		293	Tris-HCl, KCl, MgCl2, 2-mercaptoethanol, NaCl, EDTA, CaCl2, PEG 3350