1T5K

Crystal structure of amicyanin substituted with cobalt

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 14-BM-C
Synchrotron site	APS
Beamline	14-BM-C
Temperature [K]	110
Detector technology	CCD
Collection date	2002-08-14
Detector	ADSC QUANTUM 4
Wavelength(s)	0.9000
Spacegroup name	P 1 21 1
Unit cell lengths	57.701, 56.401, 58.706
Unit cell angles	90.00, 99.67, 90.00

Refinement procedure

Resolution	57.700 - 1.400
R-factor	0.184
Rwork	0.182
R-free	0.21000
Structure solution method	MOLECULAR REPLACEMENT
RMSD bond length	0.018
RMSD bond angle	1.695
Data reduction software	DENZO
Data scaling software	SCALEPACK
Phasing software	CCP4 ((MOLREP))
Refinement software	REFMAC (5.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	57.700	1.450
High resolution limit [Å]	1.400	1.400
Number of reflections	71330
<I/σ(I)>	15.3	2.2
Completeness [%]	97.8	91.2

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	EVAPORATION	5.5	293	3.6 M monobasic sodium phosphate, 0.4 M dibasic potassium phosphate, pH 5.5, EVAPORATION, temperature 293.0K