4O65

Crystal structure of the cupredoxin domain of amoB from Nitrosocaldus yellowstonii

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 21-ID-D
Synchrotron site	APS
Beamline	21-ID-D
Temperature [K]	77
Detector technology	CCD
Collection date	2010-06-13
Detector	MARMOSAIC 300 mm CCD
Wavelength(s)	0.97856
Spacegroup name	P 43 21 2
Unit cell lengths	47.886, 47.886, 192.614
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	22.430 - 1.796
R-factor	0.18347
Rwork	0.181
R-free	0.22874
Structure solution method	SAD
RMSD bond length	0.019
RMSD bond angle	2.200
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	SHARP
Refinement software	REFMAC (5.7.0032)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	22.430	7.842
High resolution limit [Å]	1.796	1.796
Number of reflections	20852
Completeness [%]	99.3	98.37

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION	4	277.15	1 M NH4SO4, 100 mM sodium formate pH 4.0, and 2% polyethylene glycol 8000, VAPOR DIFFUSION, temperature 277.15K