1N68

Copper bound to the Multicopper Oxidase CueO

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SSRL BEAMLINE BL9-2
Synchrotron site	SSRL
Beamline	BL9-2
Temperature [K]	100
Detector technology	CCD
Collection date	2002-05-16
Detector	ADSC QUANTUM 4
Wavelength(s)	1.378
Spacegroup name	P 1 21 1
Unit cell lengths	50.000, 90.941, 53.809
Unit cell angles	90.00, 102.35, 90.00

Refinement procedure

Resolution	26.300 - 1.700
R-factor	0.171
Rwork	0.165
R-free	0.22200
Starting model (for MR)	1kv7
RMSD bond length	0.007
RMSD bond angle	0.024
Data reduction software	d*TREK
Data scaling software	d*TREK
Refinement software	SHELXL-97

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	26.300	1.760
High resolution limit [Å]	1.700	1.700
Number of reflections	51492
<I/σ(I)>	11.6	3
Completeness [%]	99.7	100
Redundancy	4.6	4.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	4.6	295	20% PEG, 200 MM AMMONIUM ACETATE, 100 MM SODIUM ACETATE,10 MM COPPER CHLORIDE , pH 4.6, VAPOR DIFFUSION, HANGING DROP, temperature 295K