6C2S

Transcriptional repressor, CouR, bound to a 23-mer DNA duplex

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-G
Synchrotron site	APS
Beamline	21-ID-G
Temperature [K]	100
Detector technology	CCD
Collection date	2014-06-28
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	C 1 2 1
Unit cell lengths	135.580, 58.750, 168.090
Unit cell angles	90.00, 105.02, 90.00

Refinement procedure

Resolution	32.738 - 2.850
R-factor	0.218
Rwork	0.215
R-free	0.26680
Structure solution method	SAD
RMSD bond length	0.011
RMSD bond angle	1.550
Data reduction software	XDS
Data scaling software	XDS
Phasing software	AutoSol
Refinement software	PHENIX ((1.11.1_2575: ???))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.950
High resolution limit [Å]	2.850	2.850
Rmerge	0.088
Number of reflections	30186
<I/σ(I)>	13.34
Completeness [%]	99.6
Redundancy	4.74
CC(1/2)	0.998

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	8.5	298	0.1 M Tris pH 8.5, 0.1 M ammonium phosphate, 12% PEG 6000