6C9T

Transcriptional repressor, CouR

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	2014-04-14
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97857
Spacegroup name	P 41
Unit cell lengths	59.008, 59.008, 108.402
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	59.010 - 2.070
R-factor	0.27508
Rwork	0.272
R-free	0.33441
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	6c2s
RMSD bond length	0.012
RMSD bond angle	1.707
Data reduction software	XDS
Data scaling software	XDS
Phasing software	PHASER
Refinement software	REFMAC (5.8.0189)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	59.010	2.108
High resolution limit [Å]	2.073	2.073
Rmerge	0.066	0.946
Rmeas	0.070	1.007
Rpim	0.024	0.343
Number of reflections	22136
<I/σ(I)>	21	2.4
Completeness [%]	98.3	100
Redundancy	8.5	8.6
CC(1/2)	0.999	0.850

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP	7	282	60% Tacsimate (v/v) pH 7.0