2FT7

Structure of Cu(I)azurin at pH 6, with the metal-binding loop sequence "CTFPGHSALM" replaced with "CTPHPM"

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	SRS BEAMLINE PX10.1
Synchrotron site	SRS
Beamline	PX10.1
Temperature [K]	100
Detector technology	CCD
Collection date	2005-10-16
Detector	MARRESEARCH
Wavelength(s)	1.075
Spacegroup name	P 43 21 2
Unit cell lengths	51.957, 51.957, 75.410
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	42.800 - 1.400
R-factor	0.141
Rwork	0.139
R-free	0.17800
Structure solution method	Direct refinement using refined AZAMI-F Cu(II) structure
RMSD bond length	0.018
RMSD bond angle	1.707
Data reduction software	DENZO
Data scaling software	SCALEPACK
Refinement software	REFMAC

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	42.800	1.480
High resolution limit [Å]	1.400	1.400
Rmerge	0.060	0.324
Number of reflections	29159
<I/σ(I)>	24.9	6.7
Completeness [%]	99.6	100
Redundancy	9.5	8.6

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, HANGING DROP	6	293	0.1MM MES, 20% PEG6000, 0.2M LiCl, VAPOR DIFFUSION, HANGING DROP, temperature 293K