2HX8

Crystal structure of Cu(I) Azurin with the metal-binding loop sequence "CTFPGHSALM" replaced with "CSPHQGAGM", at pH5

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	ROTATING ANODE
Source details	RIGAKU
Temperature [K]	93
Detector technology	IMAGE PLATE
Collection date	2006-03-13
Detector	RIGAKU RAXIS IV
Wavelength(s)	1.542
Spacegroup name	P 21 21 21
Unit cell lengths	38.905, 65.345, 97.707
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	54.310 - 1.600
R-factor	0.14
Rwork	0.138
R-free	0.18400
Structure solution method	Direct use of Oxidised structure in same crystal form
Starting model (for MR)	Cu(II) form of the protein
RMSD bond length	0.017
RMSD bond angle	1.543
Data reduction software	MOSFLM
Data scaling software	SCALA
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	54.317	1.690
High resolution limit [Å]	1.547	1.600
Rmerge	0.053	0.302
Total number of observations		31142
Number of reflections	33470
<I/σ(I)>	10.2	2.4
Completeness [%]	99.8	99
Redundancy	6.7	6.5

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	5	293	29-31% PEG 4000, 100mM magnesium chloride, 100mM Sodium acetate, pH 5, VAPOR DIFFUSION, HANGING DROP, temperature 293K