3EPV

X-ray Structure of the Metal-sensor CnrX in both the Apo- and Copper-bound Forms

Experimental procedure

Experimental method	SAD
Source type	SYNCHROTRON
Source details	ESRF BEAMLINE ID23-1
Synchrotron site	ESRF
Beamline	ID23-1
Temperature [K]	100
Detector technology	CCD
Collection date	2008-06-22
Detector	ADSC QUANTUM 315
Wavelength(s)	0.97961
Spacegroup name	P 1 21 1
Unit cell lengths	31.940, 77.890, 93.200
Unit cell angles	90.00, 90.17, 90.00

Refinement procedure

Resolution	40.000 - 1.742
R-factor	0.1989
Rwork	0.196
R-free	0.25894
Structure solution method	SAD
RMSD bond length	0.032
RMSD bond angle	2.393
Data scaling software	SCALA (3.2.29)
Phasing software	SHARP
Refinement software	REFMAC (5.2.0019)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	46.600	46.600	1.840
High resolution limit [Å]	1.742	5.510	1.740
Rmerge	0.037	0.024	0.263
Total number of observations		7874	37970
Number of reflections	45563
<I/σ(I)>	14.152	25.4	3
Completeness [%]	97.7	87.2	93.8
Redundancy	6.3	5.9	6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	7.5	293	20% PEG 2000 MME, 10% Glycerol, pH 7.5, vapor diffusion, hanging drop, temperature 293K