9CHN

P. vulgaris trimeric HigBA- operator 2 DNA

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-ID
Synchrotron site	APS
Beamline	22-ID
Temperature [K]	100
Detector technology	CCD
Collection date	2015-02-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	1.0
Spacegroup name	I 41
Unit cell lengths	139.820, 139.820, 80.800
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	34.980 - 2.800
R-factor	0.1783
Rwork	0.174
R-free	0.21770
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]	34.980	34.980	2.670
High resolution limit [Å]	2.600	11.630	2.600
Rmerge	0.057	0.034	1.018
Rmeas	0.061	0.038	1.098
Total number of observations	172942
Number of reflections	23989	278	1726
<I/σ(I)>	18.53	44.83	1.94
Completeness [%]	99.7	95.9	98.6
Redundancy	7.209	6.151	7.097
CC(1/2)	0.999	0.998	0.867

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