4WLS

Crystal structure of the metal-free (repressor) form of E. Coli CUER, a copper efflux regulator, bound to COPA promoter DNA

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	2012-06-11
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97853
Spacegroup name	P 21 21 21
Unit cell lengths	52.194, 63.653, 130.205
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	45.513 - 2.105
R-factor	0.2142
Rwork	0.211
R-free	0.26380
Structure solution method	MOLECULAR REPLACEMENT
Starting model (for MR)	XXXX
RMSD bond length	0.010
RMSD bond angle	1.087
Data reduction software	XDS
Data scaling software	SCALA
Phasing software	PHENIX
Refinement software	PHENIX ((PHENIX.REFINE: 1.9_1692))

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	52.190	2.220
High resolution limit [Å]	2.100	2.100
Rmerge	0.084	0.402
Number of reflections	25034
<I/σ(I)>	8.7	2.6
Completeness [%]	97.2	97.3
Redundancy	4.1	4.1

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	295	0.2M HEPES, PH 7.5, 0.1M CACL2 AND 16% PEG4000, VAPOR DIFFUSION, HANGING DROP TEMPERATURE 295K