1YCH

X-ray Crystal Structures of Moorella thermoacetica FprA. Novel Diiron Site Structure and Mechanistic Insights into a Scavenging Nitric Oxide Reductase

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	ALS BEAMLINE 5.0.1
Synchrotron site	ALS
Beamline	5.0.1
Temperature [K]	110
Detector technology	CCD
Collection date	2003-11-17
Detector	ADSC QUANTUM 4
Wavelength(s)	0.98
Spacegroup name	P 43 21 2
Unit cell lengths	160.327, 160.327, 279.144
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	43.910 - 2.800
R-factor	0.224
Rwork	0.224
R-free	0.24500
Structure solution method	MIR
RMSD bond length	0.019
RMSD bond angle	2.200
Data reduction software	DENZO
Data scaling software	CCP4 ((SCALA))
Phasing software	CNS
Refinement software	CNS (1.0)

Data quality characteristics

	Overall	Outer shell
Low resolution limit [Å]	50.000	2.980
High resolution limit [Å]	2.800	2.800
Number of reflections	89051
Completeness [%]	99.0	96

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	LIQUID DIFFUSION	6.5	298	10% PEG 3000, 200 mM zinc acetate, 100 mM cacodylate buffer pH 6.5, LIQUID DIFFUSION, temperature 25K